pelargonidin 3-O-β-D-caffeoylglucoside

pelargonidin 3-<i>O</i>-β-D-caffeoylglucoside




Chemical Formula:
C30H25O13
Molecular Weight:
593.52 Daltons
Monoisotopic Mass:
595.145165954 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(=CC(=C(C=C5)O)O))=O
InChI:
1S/C30H26O13/c31-16-5-3-15(4-6-16)29-23(12-18-20(34)10-17(32)11-22(18)41-29)42-30-28(39)27(38)26(37)24(43-30)13-40-25(36)8-2-14-1-7-19(33)21(35)9-14/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p-1/t24-,26-,27+,28-,30-/m1/s1
InChIKey:
OUWGZZOPFVOIFO-SHPGVJHPSA-M

Databases
MetaCyc:  CPD-7383
PubChem (CID):  102515095
KEGG:  C16297
MetaNetX:  MNXM92533
ChEBI:  80433