input word = C00042724

Metabolite InformationStructural formula
Name Melilotigenin
Formula C30H46O5
Mw 486.33452458
CAS RN 114702-59-9
C_ID C00042724 ,
InChIKey MVTZJCYINFKILV-MDHNJEDFNA-N
InChICode InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,25+,26+,27-,28+,29+,30+/m0/s1
SMILES CC1(C(=O)O)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMelilotus messanensis Ref.
PlantaeFabaceaeMelilotus officinalis Ref.
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