Summary
SMILES: Oc1ccc(cc1)c1[o+]c2cc(O)cc(c2cc1O[C@@H]1OC[C@H](C(C1O)O)O)OInChI: InChI=1S/C20H18O9/c21-10-3-1-9(2-4-10)19-16(29-20-18(26)17(25)14(24)8-27-20)7-12-13(23)5-11(22)6-15(12)28-19/h1-7,14,17-18,20,24-26H,8H2,(H2-,21,22,23)/p+1/t14-,17?,18?,20+/m1/s1InChIKey: LEJPLPFWLUXHCB-ZPHYSPEPSA-O
DeepSMILES: Occcccc6))c[o+]cccO)ccc6cc%10O[C@@H]OC[C@H]CC6O))O))O)))))))))O
Scaffold Graph/Node/Bond level: c1ccc(-c2[o+]c3ccccc3cc2OC2CCCCO2)cc1
Scaffold Graph/Node level: C1CCC(C2OC3CCCCC3CC2OC2CCCCO2)CC1
Scaffold Graph level: C1CCC(CC2CC3CCCCC3CC2C2CCCCC2)CC1
Functional groups: CO; cO; cO[C@@H](C)OC; c[o+]c
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: Anthocyanidins
Synonymous chemical names:taccalin
External chemical identifiers:CID:44256695
Chemical structure download