kaempferol 3-O-β-D-glucosyl-(1->2)-glucosyl-(1->2)-β-D-glucoside
Chemical Formula:
C33H40O21
Molecular Weight:
772.666 Daltons
Monoisotopic Mass:
772.2062083481001 Daltons
SMILES:
C6(C(C5(OC1(C=C(C=C(C=1C(C(OC2(C(C(C(O)C(O2)CO)O)OC3(C(C(C(O)C(O3)CO)O)OC4(C(C(C(O)C(O4)CO)O)O))))=5)=O)O)O)))=CC=C(C=6)O)
InChI:
1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-8068
PubChem (CID):
90658031
MetaboLights:
MTBLC31744
HMDB:
HMDB32008
ChEBI:
31744
KEGG:
C12635
Seed:
cpd25022
MetaNetX:
MNXM164857
3DMET:
B04665