input word = C00036257

Metabolite InformationStructural formula
Name 25-Methylcastasterone
Formula C29H50O5
Mw 478.36582471
CAS RN 115015-43-5
C_ID C00036257 ,
InChIKey WJAMDPDVVOJXLF-YMNAADQPNA-N
InChICode InChI=1S/C29H50O5/c1-15(25(33)26(34)16(2)27(3,4)5)18-8-9-19-17-12-22(30)21-13-23(31)24(32)14-29(21,7)20(17)10-11-28(18,19)6/h15-21,23-26,31-34H,8-14H2,1-7H3/t15-,16+,17-,18+,19-,20-,21+,23-,24+,25+,26+,28-,29+/m0/s1
SMILES [C@@H]1([C@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2=O)[C@H]2[C@@](CC1)([C@H](CC2)[C@@H]([C@H]([C@@H]([C@@H](C)C(C)(C)C)O)O)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeLolium perenne L. Ref.
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