input word = C00031411

Metabolite InformationStructural formula
Name Terresterone A
(+)-Terresterone A
1alpha,2beta,3alpha-Trihydroxypregna-4,7,16-trien-12,20-dione
Formula C21H26O4
Mw 342.18310932
CAS RN 855775-76-7
C_ID C00031411 ,
InChIKey BYQIJKZHMIZGDV-RZPVAPIKNA-N
InChICode InChI=1S/C21H26O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5-6,8,15-18,23-24H,4,7,9-10H2,1-3H3/t15-,16-,17-,18-,20-,21+/m0/s1
SMILES CC(=O)C1=CC[C@H]2C3=CCC4=C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC(=O)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiThelephoraceaeThelephora terrestris Ref.
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