pelargonidin 3-O-β-D-p-coumaroylglucoside

Chemical Formula:

C₃₀H₂₅O₁₂

Molecular Weight:

577.52 Daltons

Monoisotopic Mass:

579.1502513319 Daltons

SMILES:

C(C1(OC(C(C(C1O)O)O)OC2(=CC4(C(=CC(=CC([O+]=C2C3(C=CC(=CC=3)O))=4)[O-])[O-]))))OC(C=CC5(C=CC(=CC=5)O))=O

InChI:

1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)41-23-13-20-21(34)11-19(33)12-22(20)40-29(23)16-4-8-18(32)9-5-16/h1-13,24,26-28,30,36-38H,14H2,(H3-,31,32,33,34,35)/p-1/t24-,26-,27+,28-,30-/m1/s1

InChIKey:

VZPBBOAZFCREMQ-SHPGVJHPSA-M

Databases

MetaCyc: CPD-7384

PubChem (CID): 102515504

KEGG: C16368

MetaNetX: MNXM93756

ChEBI: 80475