input word = C00055448

Metabolite InformationStructural formula
Name delta3,5-Deoxyneotigogenin
Formula C27H40O2
Mw 396.30283052
CAS RN 37064-21-4
C_ID C00055448
InChIKey YEQBGJNMHDZXRG-LLKVSFPLSA-N
InChICode InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
SMILES C[C@@H](CC1)CO[C@]21O[C@@]3([H])C[C@@]4([H])[C@]5([H])CC=C6C=CCC[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@@]3([H])[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrigonella foenum-graecum Ref.
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