CHEBI:70623 - lippiolidolic acid

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ChEBI Name lippiolidolic acid
ChEBI ID CHEBI:70623
Definition A natural product found in Lippia mexicana.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H46O4
Net Charge 0
Average Mass 470.68380
Monoisotopic Mass 470.33961
InChI InChI=1S/C30H46O4/c1-18(2)20-11-14-30(8)22(28(20,6)13-12-23(31)32)10-9-21-25-26(19(3)4)34-24(33)17-27(25,5)15-16-29(21,30)7/h20-22,25-26H,1,3,9-17H2,2,4-8H3,(H,31,32)/t20-,21+,22+,25-,26-,27-,28-,29+,30+/m0/s1
InChIKey GLULXLZRZYHBBI-IYUQAJJVSA-N
SMILES [H][C@]1(CC[C@]2(C)[C@]([H])(CC[C@]3([H])[C@@]4([H])[C@@H](OC(=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 flower (BTO:0000469). 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 leaf (BTO:0000713). 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 lippiolidolic acid (CHEBI:70623) has role metabolite (CHEBI:25212)
lippiolidolic acid (CHEBI:70623) is a diterpene lactone (CHEBI:49193)
Synonym Source
3,4:19,21-di-secolupa-4(23),20(29)-diene-21,19-lacton-3-oic acid ChEBI
Citation Waiting for Citations Type Source
20942442 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:steroid acid(CHEBI:47891); ISA:diterpenoid(CHEBI:23849); ISA:organic heterotricyclic compound(CHEBI:26979); ISA:organooxygen compound(CHEBI:36963); ISA:naphthalenes(CHEBI:25477); ISA:carbocyclic fatty acid(CHEBI:35744); ISA:delta-lactone(CHEBI:18946); ISA:dicarboxylic acid(CHEBI:35692); ISA:pyrans(CHEBI:26407); ISA:oxanes(CHEBI:46942); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);