input word = C00035041

Metabolite InformationStructural formula
Name alpha-Elemolic acid methyl ester
(-)-alpha-Elemolic acid methyl ester
Formula C31H50O3
Mw 470.37599546
CAS RN 28282-26-0
C_ID C00035041 ,
InChIKey DZGFGFULCQNZTI-NTOLWNPINA-N
InChICode InChI=1S/C31H50O3/c1-20(2)10-9-11-21(27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h10,21-22,25-26,32H,9,11-19H2,1-8H3/t21-,22-,25+,26+,29+,30-,31+/m0/s1
SMILES COC(=O)C(CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)C1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeOzoroa insignis Ref.
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OrganismOzoroa insignis
ReferenceLiu,Phytochem.,67,(2006),1309