CHEBI:10274 - alpha-Elemolic acid

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ChEBI Name alpha-Elemolic acid
ChEBI ID CHEBI:10274
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H48O3
Net Charge 0
Average Mass 456.701
Monoisotopic Mass 456.36035
InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1
InChIKey NBSBUIQBEPROBM-IMJUUJEHSA-N
SMILES CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(O)=O
ChEBI Ontology
Outgoing alpha-Elemolic acid (CHEBI:10274) is a triterpenoid (CHEBI:36615)
Synonym Source
alpha-Elemolic acid KEGG COMPOUND
Manual Xrefs Databases
C00003744 KNApSAcK
C08623 KEGG COMPOUND
HMDB0034964 HMDB
View more database links
Registry Number Type Source
28282-27-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014