input word = C00005890

Metabolite InformationStructural formula
Name Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Formula C30H32O19
Mw 696.15377884
CAS RN 152503-08-7
C_ID C00005890 ,
InChIKey PSZBCORWZMVATQ-ZZTUNRACNA-N
InChICode InChI=1S/C30H32O19/c31-8-15-20(37)23(40)25(42)29(47-15)45-12-5-13(33)19-14(6-12)46-27(10-1-3-11(32)4-2-10)28(22(19)39)49-30-26(43)24(41)21(38)16(48-30)9-44-18(36)7-17(34)35/h1-6,15-16,20-21,23-26,29-33,37-38,40-43H,7-9H2,(H,34,35)/t15-,16-,20-,21-,23+,24-,25-,26-,29-,30+/m1/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEquisetaceaeEquisetum spp. Ref.
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