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CHEBI:66772 - Pomolic acid

Default Structure
ChEBI IDCHEBI:66772
ChEBI NamePomolic acid
Stars
DefinitionA natural product found particularly in Rosa woodsii and Euscaphis japonica.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@]12CC=C3[C@@]4([H])[C@](C(=O)O)(CC[C@@H](C)[C@@]4(C)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1
InChIKeyZZTYPLSBNNGEIS-OPAXANQDSA-N
Species of MetaboliteComponentSourceComments
Cecropia pachystachya (IPNI:50908-2) leaf (BTO:0000713) PubMed (18260049)
Euscaphis japonica (ncbitaxon:210332)
twig (BTO:0001411) DOI (10.1021/np1003593) 95% ethanolic extract of twigs
pericarp (BTO:0001017) PubMed (4421158) Pericarps of capsules
Hyptis capitata (ncbitaxon:204124) whole plant (BTO:0001461) PubMed (9748372)
Rosa woodsii (ncbitaxon:32246) leaf (BTO:0000713) PubMed (9748372)
Weigela subsessilis (ncbitaxon:79620)
stem (BTO:0001300) PubMed (16595930)
leaf (BTO:0000713) PubMed (16595930)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Pomolic acid (CHEBI:66772) has role metabolite (CHEBI:25212)
Pomolic acid (CHEBI:66772) is a triterpenoid (CHEBI:36615)
Synonyms  Source
3-beta,19alpha-Dihydroxy-urs-12-en-28-oic acidChEBI
(3beta)-3,19-Dihydroxyurs-12-en-28-oic acidChEBI
Citations