input word = C00040351

Metabolite InformationStructural formula
Name Spirosupinanonediol
Formula C30H50O3
Mw 458.37599546
CAS RN 94511-18-9
C_ID C00040351 ,
InChIKey JDAAZMSLNSRDGX-UHFFFAOYNA-N
InChICode InChI=1S/C30H50O3/c1-18(2)19-9-10-20-26(19,5)13-14-29(8)24(33)30(16-15-27(20,29)6)23(32)17-21-25(3,4)22(31)11-12-28(21,30)7/h18-23,31-32H,9-17H2,1-8H3/t19-,20+,21+,22-,23-,26-,27+,28+,29+,30+/m1/s1
SMILES [C@@H]12[C@]3([C@@](CC[C@@]1([C@H](CC2)C(C)C)C)(C(=O)[C@@]1(CC3)[C@@]2([C@@H](C[C@H]1O)C([C@@H](CC2)O)(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia supina Rafin Ref.
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OrganismEuphorbia supina Rafin
ReferenceTanaka,Phytochem.,51,(1999),457