CHEBI:70683 - 23-Aldehydepomolic acid

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ChEBI Name 23-Aldehydepomolic acid
ChEBI ID CHEBI:70683
Definition A natural product found in Euscaphis japonica.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000096086436
Download Molfile XML SDF
Formula C30H46O5
Net Charge 0
Average Mass 486.68320
Monoisotopic Mass 486.33452
InChI InChI=1S/C30H46O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,17-18,20-23,32,35H,8-16H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26+,27-,28-,29-,30+/m1/s1
InChIKey ZXRXQOHNSRCNHE-LTFXOGOQSA-N
SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)[C@@]2(C)C=O
Metabolite of Species Details
Euscaphis japonica (NCBI:txid210332) Found in twig (BTO:0001411). 95% ethanolic extract of twigs See: DOI
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 23-Aldehydepomolic acid (CHEBI:70683) has role metabolite (CHEBI:25212)
23-Aldehydepomolic acid (CHEBI:70683) is a triterpenoid (CHEBI:36615)
Synonym Source
(3beta)-3,19-Dihydroxy-23-oxours-12-en-28-oic acid ChEBI
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:steroid(CHEBI:35341); ISA:tertiary alcohol(CHEBI:26878); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:aldehyde(CHEBI:17478);