Summary

SMILES: OC[C@H]1OC(Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)O)O)O)[C@@H]([C@H]([C@H]1O)O)O.[Cl-]
InChI: InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17+,18+,19-,21?;/m1./s1
InChIKey: YTMNONATNXDQJF-IKMIHYQTSA-N
DeepSMILES: OC[C@H]OCOccccO)cccc6[o+]c%10cccccc6)O))O)))))))))O))))))))[C@@H][C@H][C@H]6O))O))O.[Cl-]
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; [Cl-]; cO; cOC(C)OC; c[o+]c

---

Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketides
ClassyFire Class: Flavonoids
ClassyFire Subclass: Flavonoid glycosides
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Anthocyanidins

---

Synonymous chemical names:
cyanidin-3-galactoside

---

External chemical identifiers:
CID:10299753; ChEMBL:CHEMBL2259984

---

Chemical structure download