CHEBI:69578 - 3beta,4beta,23-trihydroxy-24-nor-olean-12-en-28-oic acid

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ChEBI Name 3beta,4beta,23-trihydroxy-24-nor-olean-12-en-28-oic acid
ChEBI ID CHEBI:69578
Definition A natural product found in Paeonia rockii subspeciesrockii.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H46O5
Net Charge 0
Average Mass 474.67250
Monoisotopic Mass 474.33452
InChI InChI=1S/C29H46O5/c1-24(2)12-14-28(23(32)33)15-13-26(4)18(19(28)16-24)6-7-20-25(3)10-9-22(31)29(34,17-30)21(25)8-11-27(20,26)5/h6,19-22,30-31,34H,7-17H2,1-5H3,(H,32,33)/t19-,20+,21+,22-,25+,26+,27+,28-,29+/m0/s1
InChIKey NOYVDDIWMWHGKL-FENDIVEOSA-N
SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](O)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
Metabolite of Species Details
Paeonia rockii subsp. rockii (NCBI:txid459179) Found in root (BTO:0001188). Isolated from chloroform soluble extract of air-dried and powdered roots See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3beta,4beta,23-trihydroxy-24-nor-olean-12-en-28-oic acid (CHEBI:69578) has role metabolite (CHEBI:25212)
3beta,4beta,23-trihydroxy-24-nor-olean-12-en-28-oic acid (CHEBI:69578) is a hydroxy steroid (CHEBI:35350)
Citation Waiting for Citations Type Source
21954959 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);