Canonicalized SMILES
stringlengths 1
839
| Canonicalized Taste
stringclasses 5
values | Original Labels
stringlengths 4
212
| Source
stringclasses 6
values | standardised_smiles
stringlengths 1
839
|
|---|---|---|---|---|
OCCCOCC1OC(OCC2OC(OCCCO)C(OCCCO)C(OCCCO)C2OCCCO)C(OCCCO)C(OCCCO)C1OCCCO | sweet | sweet | flavor_db | OCCCOCC1OC(OCC2OC(OCCCO)C(OCCCO)C(OCCCO)C2OCCCO)C(OCCCO)C(OCCCO)C1OCCCO |
OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O | bitter | bitter | phytocompounds_db | OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O |
CC1OC(OC2C(C)OC(C)C(O)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | CC1OC(OC2C(C)OC(C)C(O)C2O)C(O)C(O)C1O |
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)NP)C(O)C1O | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)NP)C(O)C1O |
OCC(O)COC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2O)C1O | sweet | sweet-like | flavor_db | OCC(O)COC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2O)C1O |
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)CP(=O)(O)CP(=O)(O)O)C(O)C1O | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)CP(=O)(O)CP(=O)(O)O)C(O)C1O |
CC(O)COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC(O)COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O |
Cn1cnc([N+](=O)[O-])c1C[N+](=O)[O-] | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | Cn1cnc([N+](=O)[O-])c1C[N+](=O)[O-] |
CC1OC(OC2C(O)C(CO)OC(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OC2C(O)C(CO)OC(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)C2O)C(O)C(O)C1O |
CC(CCC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C | sweet | sweet | phytocompounds_db | CC(CCC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C |
COc1cc(O)c2c(=O)c(-c3ccc(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)c(OC)c3)coc2c1 | sweet | sweet-like | flavor_db | COc1cc(O)c2c(=O)c(-c3ccc(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)c(OC)c3)coc2c1 |
CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O |
C[Se]c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O | sweet | sweet-like | flavor_db | C[Se]c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O |
COc1ccc(-c2coc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)ccc3c2=O)cc1O | sweet | sweet-like | flavor_db | COc1ccc(-c2coc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)ccc3c2=O)cc1O |
[B]OC(C=O)C(O)C(O)C(O)CO | sweet | sweet-like | flavor_db | [B]OC(C=O)C(O)C(O)C(O)CO |
CC1OC(Oc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(Oc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C(O)C(O)C1O |
O=C1CC(c2ccc(O)cc2)Oc2cc(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c21 | sweet | sweet-like | flavor_db | O=C1CC(c2ccc(O)cc2)Oc2cc(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c21 |
O=S=O | bitter | Bitter, Bitterness | chemtastes_db | O=S=O |
NCCCCC(NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)O | sweet | sweet | flavor_db | NCCCCC(NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)O |
CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)NCC(=O)O | sweet | sweet | flavor_db | CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)NCC(=O)O |
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C | bitter | bitter | phytocompounds_db | CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C |
CC(O)C(N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(O)C(N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O |
COC(=O)c1ccc(CCc2ccc(OC)c(O)c2)cc1 | undefined | Tasteless, Tastelessness | chemtastes_db | COC(=O)c1ccc(CCc2ccc(OC)c(O)c2)cc1 |
O=C(O)C/C=C/Cl | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)C/C=C/Cl |
CC(C)=CCCC(C)=CCNC(=O)C1CC1 | undefined | roasted, meaty | flavor_db | CC(C)=CCCC(C)=CCNC(=O)C1CC1 |
CC1OC(Oc2ccc3c(c2O)OC(c2ccc(O)c(O)c2)CC3=O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(Oc2ccc3c(c2O)OC(c2ccc(O)c(O)c2)CC3=O)C(O)C(O)C1O |
CCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O | sweet | sweet-like | flavor_db | CCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
CCOC(=O)C1CCCCC1 | undefined | winey, fruit, fruity, cheese | flavor_db | CCOC(=O)C1CCCCC1 |
COC(=O)C(C)(Cc1ccccc1)N(CCC(C)(C)C)C(=O)C(N)CC(=O)O | sweet | sweet | flavor_db | COC(=O)C(C)(Cc1ccccc1)N(CCC(C)(C)C)C(=O)C(N)CC(=O)O |
COc1cc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c(O)cc3o2)ccc1O | sweet | sweet-like | flavor_db | COc1cc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c(O)cc3o2)ccc1O |
CC1(C)CCCC2(C)C1CCC1(C)C(C=O)C(C=O)=CCC12 | undefined | pungent | phytocompounds_db | CC1(C)CCCC2(C)C1CCC1(C)C(C=O)C(C=O)=CCC12 |
CCOC(=O)CC(C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db | CCOC(=O)CC(C)NC(=O)C(N)CC(=O)O |
COc1ccc(-c2oc3cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc(O)c3c(=O)c2O)cc1O | sweet | sweet-like | flavor_db | COc1ccc(-c2oc3cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc(O)c3c(=O)c2O)cc1O |
N#Cc1ccc(NC(=O)NC(CC(=O)O)c2ccc3c(c2)OCO3)cc1 | sweet | Sweet, Sweetness | chemtastes_db | N#Cc1ccc(NC(=O)NC(CC(=O)O)c2ccc3c(c2)OCO3)cc1 |
CC(NC(=O)C(CC(N)=O)NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(NC(=O)C(CC(N)=O)NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)O |
CC(NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O)C(=O)O | sweet | sweet | flavor_db | CC(NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O)C(=O)O |
CCC12COC(=O)C(C)C1C1OC(=O)C(C)C1C(OC(=O)C(C)CO)C2 | bitter | bitter | phytocompounds_db | CCC12COC(=O)C(C)C1C1OC(=O)C(C)C1C(OC(=O)C(C)CO)C2 |
O=c1[nH]nc(Br)c(=O)[nH]1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=c1[nH]nc(Br)c(=O)[nH]1 |
COC1C(O)C(O)C(O)C(O)C1O | sweet | sweet | phytocompounds_db | COC1C(O)C(O)C(O)C(O)C1O |
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OCC2OC(OC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)ccc1O | sweet | sweet-like | flavor_db | COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OCC2OC(OC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)ccc1O |
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14 | bitter | pungent (tingling); bitter | phytocompounds_db | CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14 |
CC(C)CCNC(=S)S | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CC(C)CCNC(=S)S |
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)CC5CCC43C)C2C1 | sweet | sweet-like | flavor_db | CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)CC5CCC43C)C2C1 |
CC1=CCC(C(C)C=O)CC1 | sour | pungent; sour? | phytocompounds_db | CC1=CCC(C(C)C=O)CC1 |
N[C@@H](CC(=O)O)C(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | N[C@@H](CC(=O)O)C(=O)O |
O=C(O)[C@@H]1CC[C@H](C(=O)O)[Se]1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)[C@@H]1CC[C@H](C(=O)O)[Se]1 |
C=CCc1cc(OC)c(O)c(OC)c1 | sweet | burnt, roasted, bacon, smoky, sweet, flower, ham, meaty | flavor_db | C=CCc1cc(OC)c(O)c(OC)c1 |
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(C3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c(O)c12 | sweet | sweet-like | flavor_db | O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(C3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c(O)c12 |
COC1C(OC(C)=O)OC(COC(C)=O)C(O)C1OC | sweet | sweet | flavor_db | COC1C(OC(C)=O)OC(COC(C)=O)C(O)C1OC |
COC1OC(COC2OC(CO)C(O)C(OC3OC(CO)C(O)C3O)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | COC1OC(COC2OC(CO)C(O)C(OC3OC(CO)C(O)C3O)C2O)C(O)C(O)C1O |
COC(=O)CNC(=O)C1(NC(Cc2ccccc2)C(=O)OC)CCCCC1 | sweet | sweet | flavor_db | COC(=O)CNC(=O)C1(NC(Cc2ccccc2)C(=O)OC)CCCCC1 |
NCCCCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(N)=O)C(=O)O | sweet | sweet | flavor_db | NCCCCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(N)=O)C(=O)O |
NOCC(O)C(O)C(O)C(O)C=O | sweet | sweet | flavor_db | NOCC(O)C(O)C(O)C(O)C=O |
CN(C)C(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet-like | flavor_db | CN(C)C(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O |
O=C(CO)C(O)C(O)C(O)CO.[F-].[Na+] | sweet | sweet-like | flavor_db | O=C(CO)C(O)C(O)C(O)CO.[F-].[Na+] |
CC(C)=CCc1cc(-c2oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2CO)cc(O)c1OC1OC(CO)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC(C)=CCc1cc(-c2oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2CO)cc(O)c1OC1OC(CO)C(O)C(O)C1O |
CC1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)C(O)C(O)C1OC1OCC(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)C(O)C(O)C1OC1OCC(O)C(O)C1O |
OCC1OC(OC2(CCl)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db | OCC1OC(OC2(CCl)OC(CO)C(O)C2O)C(O)C(O)C1O |
CCCCOC(=O)CC(C)=O | sweet | brandy, fermented, sweet, fruity | flavor_db | CCCCOC(=O)CC(C)=O |
CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1ccccc1 | sweet | sweet | flavor_db | CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1ccccc1 |
[B]P(=O)(OCC1OC(n2cnc3c(N)nc(Cl)nc32)C(O)C1O)OP(=O)(O)OP(=O)(O)O | sweet | sweet-like | flavor_db | [B]P(=O)(OCC1OC(n2cnc3c(N)nc(Cl)nc32)C(O)C1O)OP(=O)(O)OP(=O)(O)O |
CC(=O)c1cc(C)ccc1O | sweet | floral, heavy, sweet, herbal | flavor_db | CC(=O)c1cc(C)ccc1O |
O=C(C=Cc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1O | sweet | sweet-like | flavor_db | O=C(C=Cc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1O |
C=C1C(=O)OC2C1CCC(C)(O)C13OC1C1OC1(C)C23 | bitter | bitter | phytocompounds_db | C=C1C(=O)OC2C1CCC(C)(O)C13OC1C1OC1(C)C23 |
CC1OC(OC2C(OC3OC(CO)C(O)C(O)C3O)OC(C(=O)OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(O)CC6(C)CCC45C)C3(C)CO)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OC2C(OC3OC(CO)C(O)C(O)C3O)OC(C(=O)OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(O)CC6(C)CCC45C)C3(C)CO)C(O)C2O)C(O)C(O)C1O |
CNc1ccccc1C(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CNc1ccccc1C(=O)O |
OCc1ccco1 | bitter | Bitter, Bitterness | chemtastes_db | OCc1ccco1 |
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3OCC(O)C(O)C3O)c(O)c(O)c12 | sweet | sweet-like | flavor_db | O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3OCC(O)C(O)C3O)c(O)c(O)c12 |
CC1OC(O)CC(O)C1O | sweet | sweet | flavor_db | CC1OC(O)CC(O)C1O |
CCCSP(C)(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CCCSP(C)(=O)O |
CCCC=CC1OCC(C)O1 | undefined | apple, fruity, green, mild | flavor_db | CCCC=CC1OCC(C)O1 |
COc1ccc(C2Cc3ccccc3CO2)cc1O | sweet | Sweet, Sweetness | chemtastes_db | COc1ccc(C2Cc3ccccc3CO2)cc1O |
CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O |
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 | sweet | sweet-like | flavor_db | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
CCC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)O | sweet | sweet | flavor_db | CCC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)O |
CNc1nc(=O)n(C)cc1C | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CNc1nc(=O)n(C)cc1C |
O=CC(OSN=O)C(O)C(O)C(O)CO | sweet | sweet | flavor_db | O=CC(OSN=O)C(O)C(O)C(O)CO |
OCC1OC(O)C(OBr)C(O)C1O | sweet | sweet | flavor_db | OCC1OC(O)C(OBr)C(O)C1O |
OCC1OC(OC2OC(CBr)C(O)C(O)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | OCC1OC(OC2OC(CBr)C(O)C(O)C2O)C(O)C(O)C1O |
CCOC(=O)CC(C)CC | undefined | fruity, pineapple | flavor_db | CCOC(=O)CC(C)CC |
COC1C(O)C(CO)OC(OC2C(O)C(C)OC(O)C2O)C1O | sweet | sweet-like | flavor_db | COC1C(O)C(CO)OC(OC2C(O)C(C)OC(O)C2O)C1O |
O=C(O)[C@H]1C[C@H](C(=O)O)C1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)[C@H]1C[C@H](C(=O)O)C1 |
OCC1OC(O)C(O)C(O)C1OC1(O)C(CO)OCC(O)C1O | sweet | sweet-like | flavor_db | OCC1OC(O)C(O)C(O)C1OC1(O)C(CO)OCC(O)C1O |
COC1OC(CO)C(O)C(O)C1OC1C(O)C(O)OC(CO)C1O | sweet | sweet-like | flavor_db | COC1OC(CO)C(O)C(O)C1OC1C(O)C(O)OC(CO)C1O |
C=C(C)CCCC(C)CCO | undefined | powdery, red rose, waxy, floral, geranium, spicy | flavor_db | C=C(C)CCCC(C)CCO |
C=C1C2CCC3(CCC4C5(C)CCCC4(C4OCCN4C5)C3C2)C1O | bitter | bitter | phytocompounds_db | C=C1C2CCC3(CCC4C5(C)CCCC4(C4OCCN4C5)C3C2)C1O |
CCC(C)N=C=S | bitter | pungent; bitter (low evidence) | phytocompounds_db | CCC(C)N=C=S |
CCC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O | sweet | sweet | flavor_db | CCC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O |
CCC(C)C(NC(=O)C(N)CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CCC(C)C(NC(=O)C(N)CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)O |
CC(N)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)O | sweet | sweet | flavor_db | CC(N)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)O |
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
O=C(O)c1cccc(CO)n1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)c1cccc(CO)n1 |
OCC1OC(O)(C(O)O)C(O)C1O | sweet | sweet | flavor_db | OCC1OC(O)(C(O)O)C(O)C1O |
CC(=O)c1ccccc1 | bitter | Bitter, Bitterness | chemtastes_db | CC(=O)c1ccccc1 |
C#CCOC1C(O)CC(OCC)OC1C | sweet | sweet | flavor_db | C#CCOC1C(O)CC(OCC)OC1C |
CC(=O)c1ccc2n1CCC2 | undefined | medicine | flavor_db | CC(=O)c1ccc2n1CCC2 |
CC(=O)C(O)CC([N+](=O)[O-])[N+](=O)[O-] | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CC(=O)C(O)CC([N+](=O)[O-])[N+](=O)[O-] |
CC(=O)c1ncc(C)nc1C | undefined | nutty, hazelnut, caramel, roasted | flavor_db | CC(=O)c1ncc(C)nc1C |
CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C1C2 | sweet | sweet-like | flavor_db | CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C1C2 |
CC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(N)CC(=O)O)C(=O)O | sweet | sweet | flavor_db | CC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(N)CC(=O)O)C(=O)O |