input word = C00029585

Metabolite InformationStructural formula
Name 7alpha-Hydroxysitosterol
Ikshusterol
Stigmast-5-ene-3beta,7alpha-diol
(-)-Stigmast-5-ene-3beta,7alpha-diol
Formula C29H50O2
Mw 430.38108084
CAS RN 34427-61-7
C_ID C00029585 ,
InChIKey SXJVFYZNUGGHRG-HCRXLDQSNA-N
InChICode InChI=1S/C29H50O2/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/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1
SMILES C1[C@@H](CC2=C[C@@H]([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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCremanthodium ellisii Ref.
PlantaeAsteraceaeInula cappa Ref.
PlantaeBromeliaceaeAnanas comosus Ref.
PlantaeLabiataeLeucas cephalotes SPRENG. Ref.
PlantaePoaceaeHordeum vulgare L.cv Mammut Ref.
PlantaePoaceaeSaccharum officinarum L. Ref.
PlantaePoaceaeZea mays L. Ref.
PlantaePolytrichaceaePolytrichum commune Ref.
PlantaeRutaceaeDictamnus dasycarpus Ref.
PlantaeSamydaceaeCasearia membranacea Ref.
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OrganismCasearia membranacea
ReferenceChang, et al., Planta Med, 69, (2003), 667