CHEBI:176765 - Olean-12-ene-3,16,22,28-tetrol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Olean-12-ene-3,16,22,28-tetrol
ChEBI ID CHEBI:176765
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O4
Net Charge 0
Average Mass 474.726
Monoisotopic Mass 474.37091
InChI InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20?,21-,22+,23+,24-,27+,28-,29-,30-/m1/s1
InChIKey CTNHZEZBBGIUJB-YSRXEMINSA-N
SMILES O[C@H]1[C@@]2([C@@](C=3[C@]([C@]4([C@@]([C@@]5(C(CC4)C([C@@H](O)CC5)(C)C)C)(CC3)[H])C)(C1)C)(CC(C[C@@H]2O)(C)C)[H])CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
ChEBI Ontology
Outgoing Olean-12-ene-3,16,22,28-tetrol (CHEBI:176765) is a triterpenoid (CHEBI:36615)
IUPAC Name
(3S,6aR,6bS,8R,8aS,9S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol
Manual Xref Database
4955211 ChemSpider
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