input word = C00054755

Metabolite InformationStructural formula
Name Anhydrosophoradiol
Formula C30H48O
Mw 424.37051615
CAS RN 86425-22-1
C_ID C00054755
InChIKey DAYKSLOBCZJGHS-QHPUVITPSA-N
InChICode InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,15-16,21-24,31H,10-14,17-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1
SMILES O[C@@H]1C(C)(C)[C@]2([H])CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)C=CC(C)(C)C[C@@]5([H])C4=CC[C@]3([H])[C@@]2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVigna angularis Ref.
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