CHEBI:70235 - Argutin D

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ChEBI Name Argutin D
ChEBI ID CHEBI:70235
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 C34H48O9
Net Charge 0
Average Mass 600.73950
Monoisotopic Mass 600.32983
InChI InChI=1S/C34H48O9/c1-8-10-11-12-13-14-15-16-28(38)42-30-29(39)22(4)33(7,18-17-21(3)9-2)27-20-25(37)19-26-31(40-23(5)35)43-32(34(26,27)30)41-24(6)36/h9,13-17,19,22,25,27,29-32,37,39H,2,8,10-12,18,20H2,1,3-7H3/b14-13+,16-15-,21-17+/t22-,25+,27+,29-,30-,31+,32-,33-,34-/m1/s1
InChIKey DVAVLSBNVPVRBI-DEHQYFKSSA-N
SMILES [H][C@@]12C[C@@H](O)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](OC(=O)\C=C/C=C/CCCCC)[C@H](O)[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 D (CHEBI:70235) has role metabolite (CHEBI:25212)
Argutin D (CHEBI:70235) is a naphthofuran (CHEBI:39270)
Synonym Source
(2R,5S,6S,7R,8S,9S,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2,7-dihydroxy-6-[(2'Z,4'E)-decadienoyloxy]cleroda-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);