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

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ChEBI Name (2alpha,3beta)-20(29)-Lupene-2,3,28-triol
ChEBI ID CHEBI:192047
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O3
Net Charge 0
Average Mass 458.727
Monoisotopic Mass 458.37600
InChI InChI=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
InChIKey YTLCVRQYWKFDSE-UHFFFAOYSA-N
SMILES OC1C(C2C(C3C(C4(C(C5C(CC4)(CCC5C(C)=C)CO)CC3)C)(CC2)C)(CC1O)C)(C)C
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing (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 Xrefs Databases
74886490 ChemSpider
HMDB0041183 HMDB
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