pelargonidin 3,7-di-O-β-D-glucoside
Chemical Formula:
C27H30O15
Molecular Weight:
594.525 Daltons
Monoisotopic Mass:
595.1662953266 Daltons
SMILES:
C(O)C1(C(C(O)C(O)C(O1)OC2(C=C([O-])C5(=C(C=2)[O+]=C(C3(C=CC(O)=CC=3))C(OC4(C(O)C(C(O)C(CO)O4)O))=C5)))O)
InChI:
1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)38-12-5-14(31)13-7-16(40-27-24(37)22(35)20(33)18(9-29)42-27)25(39-15(13)6-12)10-1-3-11(30)4-2-10/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-15289
MetaNetX:
MNXM25709
KEGG:
C20495