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CHEBI:70624 - lippiolic acid

ChEBI IDCHEBI:70624
ChEBI Namelippiolic acid
Stars
DefinitionA natural product found in Lippia mexicana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(C)C[C@H](O)[C@@H](C(=C)C)[C@@]43[H])[C@]1(C)CC[C@@]([H])(C(=C)C)[C@]2(C)CCC(=O)O
InChIInChI=1S/C30H48O3/c1-18(2)20-11-14-30(8)23(28(20,6)13-12-24(32)33)10-9-21-26-25(19(3)4)22(31)17-27(26,5)15-16-29(21,30)7/h20-23,25-26,31H,1,3,9-17H2,2,4-8H3,(H,32,33)/t20-,21+,22-,23+,25+,26-,27-,28-,29+,30+/m0/s1
InChIKeyCMBZCUVUDFRKAG-HIHFUEEJSA-N
Species of MetaboliteComponentSourceComments
Lippia mexicana (IPNI:981940-1)
flower (BTO:0000469) PubMed (20942442) Dried and ground leaves, flowers, and stems were extracted with Me2CO and then with MeOH
stem (BTO:0001300) PubMed (20942442) Dried and ground leaves, flowers, and stems were extracted with Me2CO and then with MeOH
leaf (BTO:0000713) PubMed (20942442) Dried and ground leaves, flowers, and stems were extracted with Me2CO and then with MeOH
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)
lippiolic acid (CHEBI:70624) has role metabolite (CHEBI:25212)
lippiolic acid (CHEBI:70624) is a steroid acid (CHEBI:47891)
Synonym  Source
21beta-hydroxy-3,4-seco-lupa-4(23),20(29)-dien-3-oic acidChEBI
Citations