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CHEBI:70235 - Argutin D

ChEBI IDCHEBI:70235
ChEBI NameArgutin D
Stars
DefinitionA natural product found in Casearia arguta.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H48O9
Net Charge0
Average Mass600.749
Monoisotopic Mass600.32983
SMILES[H][C@@]12C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]31[C@H](OC(=O)/C=C\C=C\CCCCC)[C@H](O)[C@@H](C)[C@@]2(C)C/C=C(\C)C=C
InChIInChI=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
InChIKeyDVAVLSBNVPVRBI-DEHQYFKSSA-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 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-trieneChEBI
Citations