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CHEBI:70238 - Argutin G

ChEBI IDCHEBI:70238
ChEBI NameArgutin G
Stars
DefinitionA natural product found in Casearia arguta.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H48O11
Net Charge0
Average Mass632.747
Monoisotopic Mass632.31966
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@H](O)[C@@H](C)[C@@]2(C)C[C@H](OO)C(=C)C=C
InChIInChI=1S/C34H48O11/c1-8-10-11-12-13-14-15-16-28(37)43-24-17-25-31(41-22(5)35)44-32(42-23(6)36)34(25)27(18-24)33(7,21(4)29(38)30(34)39)19-26(45-40)20(3)9-2/h9,13-17,21,24,26-27,29-32,38-40H,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
InChIKeySHPSAYQITLDCQK-SVPIXTTASA-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 G (CHEBI:70238) has role metabolite (CHEBI:25212)
Argutin G (CHEBI:70238) is a naphthofuran (CHEBI:39270)
Synonym  Source
(2R,5S,6S,7R,8S,9S,10S,12S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2'Z,4'E)-decadienoyloxy]-6,7-dihydroxy-12-hydroperoxycleroda-3,13(16),14-trieneChEBI
Citations