input word = C00033549

Metabolite InformationStructural formula
Name 2beta,3beta,4beta-Trihydroxypregnan-16-one
Formula C21H34O4
Mw 350.24570957
CAS RN 137100-72-2
C_ID C00033549 ,
InChIKey JHBBZIAPXDEPET-JHLJAFIYNA-N
InChICode InChI=1S/C21H34O4/c1-4-12-16(22)9-15-11-5-6-14-18(24)19(25)17(23)10-21(14,3)13(11)7-8-20(12,15)2/h11-15,17-19,23-25H,4-10H2,1-3H3/t11-,12+,13+,14+,15+,17+,18-,19+,20+,21-/m1/s1
SMILES [C@H]1([C@@H]([C@@H]([C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)([C@H](C(=O)C2)CC)C)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCipadessa baccifera (Roth) Miq. Ref.
PlantaeMeliaceaeDysoxylum densiflorum Ref.
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OrganismDysoxylum densiflorum
ReferenceXie,Phytochem.,69,(2008),2993