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CHEBI:70236 - Argutin E

ChEBI IDCHEBI:70236
ChEBI NameArgutin E
Stars
DefinitionA natural product found in Casearia arguta.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H48O8
Net Charge0
Average Mass584.750
Monoisotopic Mass584.33492
SMILES[H][C@@]12C[C@@H](OC(=O)/C=C\C=C\CCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]31C[C@H](O)[C@@H](C)[C@@]2(C)C/C=C(\C)C=C
InChIInChI=1S/C34H48O8/c1-8-10-11-12-13-14-15-16-30(38)41-26-19-27-31(39-24(5)35)42-32(40-25(6)36)34(27)21-28(37)23(4)33(7,29(34)20-26)18-17-22(3)9-2/h9,13-17,19,23,26,28-29,31-32,37H,2,8,10-12,18,20-21H2,1,3-7H3/b14-13+,16-15-,22-17+/t23-,26+,28+,29+,31+,32-,33-,34-/m1/s1
InChIKeyMIQKKZISSIYZBF-MXHFUZJLSA-N
Species of MetaboliteComponentSourceComments
Casearia arguta (ncbitaxon:1125347) leaf (BTO:0000713) PubMed (21067210) Combined extract of DCM/MeOH (1:1) and methanol
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Argutin E (CHEBI:70236) has role metabolite (CHEBI:25212)
Argutin E (CHEBI:70236) is a naphthofuran (CHEBI:39270)
Synonym  Source
(2R,5S,7S,8S,9S,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2'Z,4'E)-decadienoyloxy]-7-hydroxycleroda-3,12(E),14-trieneChEBI
Citations