input word = C00029593

Metabolite InformationStructural formula
Name 3beta-Hydroxystigmast-5-en-7-one
7-Oxo-beta-sitosterol
Stigmast-5-en-3beta-ol-7-one
Formula C29H48O2
Mw 428.36543078
CAS RN 2034-74-4
C_ID C00029593 ,
InChIKey ICFXJOAKQGDRCT-QEFQULDFNA-N
InChICode InChI=1S/C29H48O2/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/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/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](CC[C@H](C(C)C)CC)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula cappa Ref.
PlantaeCruciferaeBrassica napus Ref.
PlantaeEbenaceaeDiospyros eriantha Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeLabiataeSalvia syriaca L. Ref.
PlantaeLabiataeSideritis argosphacelus var. spicata Ref.
PlantaeLabiataeSideritis discolor Ref.
PlantaeRutaceaeZanthoxylum wutaiense Ref.
PlantaeSalicaceaeSalix cheilophila Ref.
PlantaeSaururaceaeHouttuynia cordata Ref.
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OrganismDiospyros eriantha
ReferenceC. Chen et al., Chem. Abs., (1994), 120, 319387.