input word = C00005227

Metabolite InformationStructural formula
Name Kaempferol 3-sambubioside-7-glucoside
Formula C32H38O20
Mw 742.19564366
CAS RN 58699-70-0
C_ID C00005227 ,
InChIKey ZLIBDUVXNWMLCR-CJYVHHFNNA-N
InChICode InChI=1S/C32H38O20/c33-7-16-20(39)23(42)26(45)31(49-16)47-12-5-13(36)18-15(6-12)48-27(10-1-3-11(35)4-2-10)28(22(18)41)51-32-29(24(43)21(40)17(8-34)50-32)52-30-25(44)19(38)14(37)9-46-30/h1-6,14,16-17,19-21,23-26,29-40,42-45H,7-9H2/t14-,16-,17-,19-,20+,21+,23-,24+,25-,26+,29+,30+,31+,32-/m0/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaryllidaceaeLeucojum vernum Ref.
PlantaeRanunculaceaeHelleborus niger Ref.
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