pelargonidin 3-O-sophoroside

pelargonidin 3-<i>O</i>-sophoroside




Chemical Formula:
C27H30O15
Molecular Weight:
594.525 Daltons
Monoisotopic Mass:
595.1662953266 Daltons
SMILES:
C(C5(OC(OC4(C(OC1(=CC3(C(=CC(=CC([O+]=C1C2(C=CC(=CC=2)O))=3)O)[O-])))OC(C(C4O)O)CO))C(C(C5O)O)O))O
InChI:
1S/C27H30O15/c28-8-17-19(33)21(35)23(37)26(40-17)42-25-22(36)20(34)18(9-29)41-27(25)39-16-7-13-14(32)5-12(31)6-15(13)38-24(16)10-1-3-11(30)4-2-10/h1-7,17-23,25-29,33-37H,8-9H2,(H2-,30,31,32)/t17-,18-,19-,20-,21-,22-,23-,25-,26?,27+/m0/s1
InChIKey:
HASVPNDDKSXPGU-KFGKWJTJSA-N

Databases
MetaCyc:  CPD-7843
PubChem (CID):  90657994 145865045
HMDB:  HMDB33679
KEGG:  C16305
Seed:  cpd15021
MetaNetX:  MNXM20335
ChEBI:  134007