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CHEBI:70237 - Argutin F

ChEBI IDCHEBI:70237
ChEBI NameArgutin F
Stars
DefinitionA natural product found in Casearia arguta.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H48O10
Net Charge0
Average Mass616.748
Monoisotopic Mass616.32475
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@]31[C@@H](O)C[C@@H](C)[C@@]2(C)C[C@H](OO)C(=C)C=C
InChIInChI=1S/C34H48O10/c1-8-10-11-12-13-14-15-16-30(38)42-25-18-26-31(40-23(5)35)43-32(41-24(6)36)34(26)28(19-25)33(7,22(4)17-29(34)37)20-27(44-39)21(3)9-2/h9,13-16,18,22,25,27-29,31-32,37,39H,2-3,8,10-12,17,19-20H2,1,4-7H3/b14-13+,16-15-/t22-,25+,27+,28+,29+,31+,32-,33-,34-/m1/s1
InChIKeyHXZWRWDSAJYAQI-NLYZPZRZSA-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 F (CHEBI:70237) has role metabolite (CHEBI:25212)
Argutin F (CHEBI:70237) is a naphthofuran (CHEBI:39270)
Synonym  Source
(2R,5S,6S,8R,9R,10S,12S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2'Z,4'E)-decadienoyloxy]6-hydroxy-12-hydroperoxycleroda-3,13(16),14-trieneChEBI
Citations