input word = C00035460

Metabolite InformationStructural formula
Name 12-Hydroxyoleanolic lactone
Formula C30H48O4
Mw 472.35526002
CAS RN 760211-27-6
C_ID C00035460 ,
InChIKey CXELEGXSGVFEND-UHFFFAOYNA-N
InChICode InChI=1S/C30H48O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-18-25(3,4)21(31)9-10-26(18,5)19(27)16-22(32)30(28,20(29)17-24)34-23(29)33/h18-22,31-32H,8-17H2,1-7H3/t18-,19+,20-,21+,22+,26+,27+,28-,29-,30+/m0/s1
SMILES C1(=O)[C@@]23CC[C@]4([C@@]5(CC[C@H]6C([C@@H](CC[C@]6([C@H]5C[C@H]([C@@]4([C@H]2CC(CC3)(C)C)O1)O)C)O)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNothofagaceae/FagaceaeNothofagus dombeyi Ref.
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OrganismNothofagus dombeyi
ReferenceThoison,Phytochem.,65,(2004),2173