cyanidin 3,5-di-O-β-D-glucoside

Chemical Formula:

C₂₇H₃₀O₁₆

Molecular Weight:

610.524 Daltons

Monoisotopic Mass:

611.1612099486999 Daltons

SMILES:

C(O)C1(C(O)C(O)C(O)C(O1)OC5(C4(C=C(OC2(C(O)C(O)C(O)C(CO)O2))C(C3(=CC=C(O)C(O)=C3))=[O+]C=4C=C([O-])C=5)))

InChI:

1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1

InChIKey:

RDFLLVCQYHQOBU-ZOTFFYTFSA-N

Synonyms

cyanidin-3,5-diglucoside

Databases

MetaCyc: CPD-7138

PubChem (CID): 165000

ChEBI: 71511

KEGG: C08639

Seed: cpd05546

MetaNetX: MNXM145807