input word = C00058817

Metabolite InformationStructural formula
Name Z-Guggulsterone
Formula C21H28O2
Mw 312.20893014
CAS RN 39025-23-5
C_ID C00058817
InChIKey WDXRGPWQVHZTQJ-OSJVMJFVSA-N
InChICode InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
SMILES C/C=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeCommiphora mukul Ref.
PlantaeBurseraceaeCommiphora wightii Ref.
PlantaeSimaroubaceaeAilanthus grandis Ref.
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OrganismAilanthus grandis
ReferenceT. Hung et al., Chem. Abs., (1996), 125, 270539.