input word = C00060404

Metabolite InformationStructural formula
Name Pregnenoloneacetate
Formula C23H34O3
Mw 358.25079495
CAS RN 1778-02-5
C_ID C00060404
InChIKey CRRKVZVYZQXICQ-UHFFFAOYSA-N
InChICode InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1
SMILES CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)=O)CCC32)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Caffea sp. Ref.
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