input word = C00048469

Metabolite InformationStructural formula
Name Lesterone
Formula C27H44O8
Mw 496.30361838
CAS RN 256509-87-2
C_ID C00048469 ,
InChIKey WSBAGDDNVWTLOM-OQPPQAOMNA-N
InChICode InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17-,18+,19-,20-,21+,22+,24-,25+,26+,27+/m0/s1
SMILES [C@H]1([C@H]2C(=CC(=O)[C@H]3[C@@]2(C[C@H]([C@H](C3)O)O)C)[C@]2([C@](C1)([C@H](CC2)[C@@]([C@@H](CCC(C)(C)O)O)(C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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OrganismRhaponticum carthamoides
ReferenceKokoska,Phytochem.,70,(2009),842