input word = C00040408

Metabolite InformationStructural formula
Name Supinenolone A
Formula C30H48O3
Mw 456.3603454
CAS RN 125477-06-7
C_ID C00040408 ,
InChIKey VGKDKBUHLQYHBS-LNMYMHEVNA-N
InChICode InChI=1S/C30H48O3/c1-17(2)18-9-10-21-27(18,5)13-14-29(7)25-19(31)15-22-26(3,4)23(33)11-12-28(22,6)24(25)20(32)16-30(21,29)8/h17-19,21-23,31,33H,9-16H2,1-8H3/t18-,19-,21-,22-,23+,27-,28+,29-,30+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)(C1=C([C@@H](C2)O)[C@@]2([C@@](CC1=O)([C@H]1[C@](CC2)([C@H](CC1)C(C)C)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia supina Rafin Ref.
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