pelargonidin-3-O-rutinoside

Chemical Formula:

C₂₇H₃₀O₁₄

Molecular Weight:

578.526 Daltons

Monoisotopic Mass:

579.1713807044999 Daltons

SMILES:

CC5(C(O)C(O)C(O)C(OCC1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(C=CC(O)=CC=2))3)C=C(O)C=C([O-])4))))O5)

InChI:

1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1

InChIKey:

IFYOHQQBIKDHFT-ASZXTAQUSA-N

Synonyms

pelargonidin-3-O-rhamnoglucoside

Databases

MetaCyc: CPD-7144

PubChem (CID): 443918

ChEBI: 60048

KEGG: C12644

Seed: cpd09275

MetaNetX: MNXM3686

3DMET: B04671