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CHEBI:192038 - Erythrodiol 3-decanoate

Default Structure
ChEBI IDCHEBI:192038
ChEBI NameErythrodiol 3-decanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H68O3
Net Charge0
Average Mass596.981
Monoisotopic Mass596.51685
SMILESCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CO)CCC23C)C1(C)C
InChIInChI=1S/C40H68O3/c1-9-10-11-12-13-14-15-16-34(42)43-33-20-21-37(6)31(36(33,4)5)19-22-39(8)32(37)18-17-29-30-27-35(2,3)23-25-40(30,28-41)26-24-38(29,39)7/h17,30-33,41H,9-16,18-28H2,1-8H3
InChIKeyGFJZQJRUULUPGX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Erythrodiol 3-decanoate (CHEBI:192038) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] decanoate
Manual XrefsDatabases
35013729ChemSpider
HMDB0034510HMDB