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 C1[C@@H]2[C@](C(=O)C[C@]1(C)C(=O)O)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H]([C@]1(C)CO)O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMelilotus messanensis Ref.
PlantaeFabaceaeMelilotus officinalis Ref.
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