input word = C00047241

Metabolite InformationStructural formula
Name Guggulsterone
Formula C21H28O2
Mw 312.20893014
CAS RN 95975-55-6
C_ID C00047241 ,
InChIKey WDXRGPWQVHZTQJ-UUYVNHGPNA-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 C1[C@H]2[C@H]([C@H]3[C@](C1)(/C(=C/C)/C(=O)C3)C)CCC1=CC(=O)CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeCommiphora mukul Ref.
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