input word = C00064650

Metabolite InformationStructural formula
Name Cholest-4-ene-3,6-dione
Formula C27H42O2
Mw 398.31848058
CAS RN 984-84-9
C_ID C00064650
InChIKey GWOSBUGZGFVDDS-LKGWFGLDSA-N
InChICode InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,26-,27-/m1/s1
SMILES CC(C)CCCC(C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeCommiphora wightii Ref.
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OrganismCommiphora wightii
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.