CHEBI:70624 - lippiolic acid

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ChEBI Name lippiolic acid
ChEBI ID CHEBI:70624
Definition A natural product found in Lippia mexicana.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C30H48O3
Net Charge 0
Average Mass 456.70030
Monoisotopic Mass 456.36035
InChI InChI=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
InChIKey CMBZCUVUDFRKAG-HIHFUEEJSA-N
SMILES [H][C@]1(CC[C@]2(C)[C@]([H])(CC[C@]3([H])[C@@]4([H])[C@@H]([C@@H](O)C[C@]4(C)CC[C@@]23C)C(C)=C)[C@@]1(C)CCC(O)=O)C(C)=C
Metabolite of Species Details
Lippia mexicana (IPNI:981940-1) Found in leaf (BTO:0000713). Dried and ground leaves, flowers, and stems were extracted with Me2CO and then with MeOH See: PubMed
Lippia mexicana (IPNI:981940-1) Found in stem (BTO:0001300). Dried and ground leaves, flowers, and stems were extracted with Me2CO and then with MeOH See: PubMed
Lippia mexicana (IPNI:981940-1) Found in flower (BTO:0000469). Dried and ground leaves, flowers, and stems were extracted with Me2CO and then with MeOH 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 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 acid ChEBI
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:androstanoid(CHEBI:50402); ISA:16alpha-hydroxy steroid(CHEBI:16799); ISA:diterpenoid(CHEBI:23849); ISA:carbocyclic fatty acid(CHEBI:35744); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);