cyanidin-3-O-rutinoside

Chemical Formula:

C₂₇H₃₀O₁₅

Molecular Weight:

594.525 Daltons

Monoisotopic Mass:

595.1662953266 Daltons

SMILES:

CC1(C(O)C(O)C(O)C(O1)OCC2(C(O)C(O)C(O)C(O2)OC4(C(C3(C=C(O)C(O)=CC=3))=[O+]C5(C(C=4)=C([O-])C=C(O)C=5))))

InChI:

1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1

InChIKey:

USNPULRDBDVJAO-FXCAAIILSA-N

Synonyms

cyanidin 3-rhamnoglucoside
keracyanin
sambucin
antirrhinin
cyanidin 3-rutinoside
cyanidin-3-O-α-L-rhamnosyl-(1→6)-β-D-glucoside

Databases

MetaCyc: CPD-15001

PubChem (CID): 29232

ChEBI: 58546

Seed: cpd05527

HMDB: HMDB31458

MetaNetX: MNXM3243

KEGG: C08620