input word = C00031412

Metabolite InformationStructural formula
Name Terresterone B
(+)-Terresterone B
2beta,3alpha-Dihydroxypregna-4,7,16-trien-12,20-dione
Formula C21H26O5
Mw 358.17802394
CAS RN 855775-77-8
C_ID C00031412 ,
InChIKey DLJITFFQRIHLKS-XPCOPRBHNA-N
InChICode InChI=1S/C21H26O5/c1-10(22)13-6-7-14-12-5-4-11-8-16(23)18(25)19(26)20(11,2)15(12)9-17(24)21(13,14)3/h5-6,8,14-16,18-19,23,25-26H,4,7,9H2,1-3H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1
SMILES [C@H]1([C@H](C=C2[C@]([C@H]1O)([C@@H]1C(=CC2)[C@H]2[C@](C(=O)C1)(C(=CC2)C(=O)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiThelephoraceaeThelephora terrestris Ref.
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