input word = C00040409

Metabolite InformationStructural formula
Name Supinenolone B
Formula C30H48O3
Mw 456.3603454
CAS RN 125456-54-4
C_ID C00040409 ,
InChIKey QZYBLSBBEUUBNS-NEPXJZTENA-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/h17-18,20-23,32-33H,9-16H2,1-8H3/t18-,20+,21-,22+,23+,27-,28+,29-,30+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)(C1=C(C(=O)C2)[C@@]2([C@@](C[C@@H]1O)([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.
zoom in