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CHEBI:5370 - Glaucarubin

Default Structure
ChEBI IDCHEBI:5370
ChEBI NameGlaucarubin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H36O10
Net Charge0
Average Mass496.553
Monoisotopic Mass496.23085
SMILES[H][C@@]12[C@@H](OC(=O)[C@@](C)(O)CC)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=C[C@H](O)[C@@H](O)[C@]4(C)[C@]4([H])[C@]13CO[C@@]4(O)[C@H](O)[C@@H]2C
InChIInChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1
InChIKeyLZKVXMYVBSNXER-YZPKDWIXSA-N
ChEBI Ontology
Outgoing Relation(s)
Glaucarubin (CHEBI:5370) is a triterpenoid (CHEBI:36615)
Synonym  Source
GlaucarubinKEGG COMPOUND
Manual XrefsDatabases
C00003710KNApSAcK
C08760KEGG COMPOUND
Registry NumbersSources
CAS:1448-23-3KEGG COMPOUND