input word = C00042725

Metabolite InformationStructural formula
Name Melilotigenin B
Formula C30H46O3
Mw 454.34469533
CAS RN 91269-84-0
C_ID C00042725 ,
InChIKey AKFPPARWAOGYCP-LIZAOALONA-N
InChICode InChI=1S/C30H46O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-22,31H,9-18H2,1-7H3/t20-,21+,22+,26+,27-,28+,29+,30+/m0/s1
SMILES C1[C@@H]2[C@](C(=O)CC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CCC(=O)[C@]1(C)CO)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMelilotus messanensis Ref.
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