CHEBI:70239 - Argutin H

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ChEBI Name Argutin H
ChEBI ID CHEBI:70239
Definition A natural product found in Casearia arguta.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H48O11
Net Charge 0
Average Mass 632.73830
Monoisotopic Mass 632.31966
InChI InChI=1S/C34H48O11/c1-8-10-11-12-13-14-15-16-28(38)43-30-29(39)21(4)33(7,19-26(45-40)20(3)9-2)27-18-24(37)17-25-31(41-22(5)35)44-32(34(25,27)30)42-23(6)36/h9,13-17,21,24,26-27,29-32,37,39-40H,2-3,8,10-12,18-19H2,1,4-7H3/b14-13+,16-15-/t21-,24+,26+,27+,29-,30-,31+,32-,33-,34-/m1/s1
InChIKey IXYXKSAIWQZQMQ-SVPIXTTASA-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@H](OO)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 H (CHEBI:70239) has role metabolite (CHEBI:25212)
Argutin H (CHEBI:70239) is a naphthofuran (CHEBI:39270)
Synonym Source
(2R,5S,6S,7R,8S,9S,10S,12S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2,7-dihydroxy-6-[(2'Z,4'E)-decadienoyloxy]-12-hydroperoxycleroda-3,13(16),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:fatty acid ester(CHEBI:35748); ISA:oxolanes(CHEBI:26912); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:peroxol(CHEBI:35924); 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);