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CHEBI:10419 - beta-Hederin

Default Structure
ChEBI IDCHEBI:10419
ChEBI Namebeta-Hederin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H66O11
Net Charge0
Average Mass734.968
Monoisotopic Mass734.46051
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1
InChIKeyIBAJNOZMACNWJD-HVUPOBLPSA-N
ChEBI Ontology
Outgoing Relation(s)
beta-Hederin (CHEBI:10419) is a triterpenoid (CHEBI:36615)
Synonym  Source
beta-HederinKEGG COMPOUND
Manual XrefsDatabases
C00003529KNApSAcK
C08955KEGG COMPOUND
Registry NumbersSources
CAS:35790-95-5KEGG COMPOUND