input word = C00032009

Metabolite InformationStructural formula
Name Mestranol
Formula C21H26O2
Mw 310.19328007
CAS RN 72-33-3
C_ID C00032009 ,
InChIKey IMSSROKUHAOUJS-ZTUUXWJNNA-N
InChICode InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
SMILES C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiCunninghamellaceaeCunninghamella elegans Ref.
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