Summary
SMILES: OCC1O[C@H](C([C@@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2OC(C)[C@@H]([C@@H](C2O)O)O)c(c2c1oc(cc2=O)c1ccc(cc1)O)OInChI: InChI=1S/C27H30O14/c1-8-17(31)21(35)23(37)26(39-8)15-19(33)14-11(30)6-12(9-2-4-10(29)5-3-9)40-25(14)16(20(15)34)27-24(38)22(36)18(32)13(7-28)41-27/h2-6,8,13,17-18,21-24,26-29,31-38H,7H2,1H3/t8?,13?,17-,18+,21-,22+,23?,24?,26-,27-/m0/s1InChIKey: TWBWSPDILHVKEV-ZHNRVIEFSA-N
DeepSMILES: OCCO[C@H]C[C@@H][C@@H]6O))O))O))ccO)c[C@@H]OCC)[C@@H][C@@H]C6O))O))O)))))ccc6occc6=O)))cccccc6))O)))))))))O
Scaffold Graph/Node/Bond level: O=c1cc(-c2ccccc2)oc2c(C3CCCCO3)cc(C3CCCCO3)cc12
Scaffold Graph/Node level: OC1CC(C2CCCCC2)OC2C1CC(C1CCCCO1)CC2C1CCCCO1
Scaffold Graph level: CC1CC(C2CCCCC2)CC2C1CC(C1CCCCC1)CC2C1CCCCC1
Functional groups: CO; COC; c=O; cO; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Flavonoid glycosides
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavones
Synonymous chemical names:isoviolanthin
External chemical identifiers:CID:44257680
Chemical structure download