CHEBI:70232 - Argutin A

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ChEBI Name Argutin A
ChEBI ID CHEBI:70232
Definition A natural product found in Casearia arguta.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H48O8
Net Charge 0
Average Mass 584.74010
Monoisotopic Mass 584.33492
InChI InChI=1S/C34H48O8/c1-8-10-11-12-13-14-15-16-30(38)41-26-20-27-31(39-24(5)35)42-32(40-25(6)36)34(27)28(21-26)33(7,18-17-22(3)9-2)23(4)19-29(34)37/h9,13-17,20,23,26,28-29,31-32,37H,2,8,10-12,18-19,21H2,1,3-7H3/b14-13+,16-15-,22-17+/t23-,26+,28+,29+,31+,32-,33-,34-/m1/s1
InChIKey STQXAQGQWCMXAF-MXHFUZJLSA-N
SMILES [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@@H](O)C[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O
Metabolite of Species Details
Casearia arguta (NCBI:txid1125347) Found in leaf (BTO:0000713). Combined extract of DCM/MeOH (1:1) and methanol 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 Argutin A (CHEBI:70232) has role metabolite (CHEBI:25212)
Argutin A (CHEBI:70232) is a naphthofuran (CHEBI:39270)
Synonym Source
(2R,5S,6S,8R,9R,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2?'Z,4?'E)-decadienoyloxy]-6-hydroxycleroda-3,12(E),14-triene ChEBI
Citation Waiting for Citations Type Source
21067210 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:monoterpenoid(CHEBI:25409); ISA:fatty acid ester(CHEBI:35748); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);