input word = C00029594

Metabolite InformationStructural formula
Name 7-Oxostigmasterol
Formula C29H46O2
Mw 426.34978071
CAS RN 36449-99-7
C_ID C00029594 ,
InChIKey UKMCCFHULJHJNS-OYTUBMIGNA-N
InChICode InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-25,27,30H,7,10-16H2,1-6H3/b9-8+/t19-,20+,22-,23+,24-,25-,27-,28-,29+/m0/s1
SMILES C1[C@@H](CC2=CC(=O)[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@H](/C=C/[C@H](C(C)C)CC)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeLabiataeLeucas cephalotes SPRENG. Ref.
PlantaePoaceaeHordeum vulgare L.cv Mammut Ref.
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