CHEBI:132619 - regelin

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ChEBI Name regelin
ChEBI ID CHEBI:132619
Definition A pentacyclic triterpenoid with formula C31H48O4, originally isolated from the roots of Tripterygium regelii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C31H48O4
Net Charge 0
Average Mass 484.712
Monoisotopic Mass 484.35526
InChI InChI=1S/C31H48O4/c1-18-19(26(34)35-8)17-24(33)29(5)15-16-30(6)20(25(18)29)9-10-22-28(4)13-12-23(32)27(2,3)21(28)11-14-31(22,30)7/h9,18-19,21-22,24-25,33H,10-17H2,1-8H3/t18-,19+,21-,22+,24-,25+,28-,29-,30+,31+/m0/s1
InChIKey YQPSLCRGQUNTRC-JXIPVQOYSA-N
SMILES C1C(=O)C([C@@]2(CC[C@@]3([C@](CC=C4[C@]3(CC[C@@]5([C@@]4([C@H]([C@@H](C[C@@H]5O)C(OC)=O)C)[H])C)C)([C@]2(C1)C)[H])C)[H])(C)C
Metabolite of Species Details
Tripterygium regelii (NCBI:txid123485) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing regelin (CHEBI:132619) has parent hydride ursane (CHEBI:35711)
regelin (CHEBI:132619) has role plant metabolite (CHEBI:76924)
regelin (CHEBI:132619) is a cyclic ketone (CHEBI:3992)
regelin (CHEBI:132619) is a methyl ester (CHEBI:25248)
regelin (CHEBI:132619) is a pentacyclic triterpenoid (CHEBI:25872)
regelin (CHEBI:132619) is a secondary alcohol (CHEBI:35681)
Synonyms Sources
Methyl 3-oxo-22-hydroxyurs-12-en-30-oic acid ChemIDplus
Regelin C ChemIDplus
Manual Xref Database
163808 PubChem
View more database links
Registry Number Type Source
109974-21-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17250858 PubMed citation Europe PMC
2801129 PubMed citation Europe PMC
3664820 PubMed citation Europe PMC
Last Modified
23 November 2016