input word = C00023769

Metabolite InformationStructural formula
Name Clionasterol
gamma-Sitosterol
Formula C29H50O
Mw 414.38616622
CAS RN 83-47-6
C_ID C00023769 ,
InChIKey KZJWDPNRJALLNS-XNMQMIFBNA-N
InChICode InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILES C1[C@@H](CC2=CC[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
AmoebozoaPhysaridaePhysarum flavicomum Ref.
AmoebozoaPhysaridaePhysarum polycephalum Ref.
ChromalveolataHeterosigmataceaeHeterosigma akashiwo Ref.
PlantaeAcoraceaeAcorus calanus L. Ref.
PlantaeApiaceaePeucedanum rubricaule Ref.
PlantaeAsteraceaeGynura segetum Ref.
PlantaeCruciferaeIsatis indigotica Ref.
PlantaePolygonaceaePolygonum bistorta Ref.
PlantaeRutaceaeCitrus limonia Ref.
PlantaeVerbenaceaeClerodendron cyrtophyllum Ref.
--Chloromorum toxicum Ref.
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OrganismCitrus limonia
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Rao, et al., APS, 26, (1991), 30.

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)