CHEBI:70414 - 1,2-dehydro-2,3-secofriedelan-3-oic acid

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ChEBI Name 1,2-dehydro-2,3-secofriedelan-3-oic acid
ChEBI ID CHEBI:70414
Definition A tetracyclic triterpenoid isolated from the leaves of Garcia parviflora.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H50O2
Net Charge 0
Average Mass 442.71680
Monoisotopic Mass 442.38108
InChI InChI=1S/C30H50O2/c1-10-21-27(6,20(2)24(31)32)12-11-22-28(21,7)16-18-30(9)23-19-25(3,4)13-14-26(23,5)15-17-29(22,30)8/h10,20-23H,1,11-19H2,2-9H3,(H,31,32)/t20-,21+,22-,23+,26+,27+,28-,29+,30-/m0/s1
InChIKey JIJBCKTUZZUZGI-DIEYUIMASA-N
SMILES C[C@@H](C(O)=O)[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1C=C
Metabolite of Species Details
Garcia parviflora (IPNI:107401-2) Found in branch (BTO:0000148). n-hexane extract of air-dried, powdered branch and leaves See: PubMed
Garcia parviflora (IPNI:107401-2) Found in leaf (BTO:0000713). n-hexane extract of air-dried, powdered branch and leaves See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 1,2-dehydro-2,3-secofriedelan-3-oic acid (CHEBI:70414) has role plant metabolite (CHEBI:76924)
1,2-dehydro-2,3-secofriedelan-3-oic acid (CHEBI:70414) is a monocarboxylic acid (CHEBI:25384)
1,2-dehydro-2,3-secofriedelan-3-oic acid (CHEBI:70414) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
(2R)-2-[(1S,2S,4aS,4bR,6aR,10aR,10bS,12aR)-1-ethenyl-2,4b,6a,9,9,10b,12a-heptamethyloctadecahydrochrysen-2-yl]propanoic acid
Citation Waiting for Citations Type Source
20958014 PubMed citation Europe PMC
Last Modified
01 June 2015