input word = C00040412

Metabolite InformationStructural formula
Name Supinenolone E
Formula C30H48O2
Mw 440.36543078
CAS RN 142449-67-0
C_ID C00040412 ,
InChIKey HBNLGTQOVULHNC-SUGRGTLMNA-N
InChICode InChI=1S/C30H48O2/c1-18(2)19-9-10-22-28(19,6)15-16-30(8)25-20(11-14-29(22,30)7)27(5)13-12-24(32)26(3,4)23(27)17-21(25)31/h18-19,22-24,32H,9-17H2,1-8H3/t19-,22-,23+,24+,27-,28-,29+,30-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)(C1=C(C(=O)C2)[C@@]2([C@@](CC1)([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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