input word = C00035956

Metabolite InformationStructural formula
Name 6beta,12beta-Dihydroxymestranol
Formula C21H26O4
Mw 342.18310932
CAS RN 868770-98-3
C_ID C00035956 ,
InChIKey YTRCAZOTWYOCGG-ZIZFVJNKNA-N
InChICode InChI=1S/C21H26O4/c1-4-21(24)8-7-17-15-10-18(22)16-9-12(25-3)5-6-13(16)14(15)11-19(23)20(17,21)2/h1,5-6,9,14-15,17-19,22-24H,7-8,10-11H2,2-3H3/t14-,15-,17+,18-,19-,20-,21+/m1/s1
SMILES C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)c4cc(OC)ccc4[C@H]3C[C@@H](O)[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiCunninghamellaceaeCunninghamella elegans Ref.
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