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CHEBI:67939 - erythrodiol

ChEBI IDCHEBI:67939
ChEBI Nameerythrodiol
Stars
DefinitionA pentacyclic triterpenoid that is β-amyrin in which one of the hydrogens of the methyl group at position 28 has been replaced by a hydroxy group. It is a plant metabolite found in olive oil as well as in Rhododendron ferrugineum and other Rhododendron species.
Last Modified15 October 2014
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(CO)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
InChIKeyPSZDOEIIIJFCFE-OSQDELBUSA-N
Species of MetaboliteComponentSourceComments
Rhododendron (ncbitaxon:4346) - PubMed (21443171)
Rhododendron ferrugineum (ncbitaxon:49622) leaf (BTO:0000713) PubMed (21443171) MeOH extract of CHCl3 soluble fraction of air-dried,powdered leaves,uvaol & erythrodiol mixture
Olea europaea (ncbitaxon:4146) fruit (BTO:0000486) PubMed (18384095)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
erythrodiol (CHEBI:67939) has functional parent β-amyrin (CHEBI:10352)
erythrodiol (CHEBI:67939) has role plant metabolite (CHEBI:76924)
erythrodiol (CHEBI:67939) is a diol (CHEBI:23824)
erythrodiol (CHEBI:67939) is a pentacyclic triterpenoid (CHEBI:25872)
erythrodiol (CHEBI:67939) is a primary alcohol (CHEBI:15734)
erythrodiol (CHEBI:67939) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
oleanolic aldehyde (CHEBI:82827) has functional parent erythrodiol (CHEBI:67939)
IUPAC Name 
olean-12-ene-3β,28-diol
Synonyms  Source
(3β)-olean-12-ene-3,28-diolChemIDplus
3β-erythrodiolMetaCyc
3β,28-dihydroxy-ole-12-eneChEBI
oleanolic alcoholChEBI
UniProt Name  Source
erythrodiolUniProt
Manual XrefsDatabases
CPD-14499MetaCyc
HMDB0002360HMDB
C00019065KNApSAcK
Registry NumbersSources
Reaxys:2340203Reaxys
CAS:545-48-2ChemIDplus
Citations