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CHEBI:192047 - (2alpha,3beta)-20(29)-Lupene-2,3,28-triol

Default Structure
ChEBI IDCHEBI:192047
ChEBI Name(2alpha,3beta)-20(29)-Lupene-2,3,28-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILESC=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12
InChIInChI=1S/C30H50O3/c1-18(2)19-10-13-30(17-31)15-14-28(6)20(24(19)30)8-9-23-27(5)16-21(32)25(33)26(3,4)22(27)11-12-29(23,28)7/h19-25,31-33H,1,8-17H2,2-7H3
InChIKeyYTLCVRQYWKFDSE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
(2alpha,3beta)-20(29)-Lupene-2,3,28-triol (CHEBI:192047) is a triterpenoid (CHEBI:36615)
IUPAC Name 
3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,10-diol
Manual XrefsDatabases
74886490ChemSpider
HMDB0041183HMDB