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CHEBI:200680 - (E,E)-6-carbonyl-7-hydroxy-2,4-octadienoic acid 6-strobilactone-B ester

ChEBI IDCHEBI:200680
ChEBI Name(E,E)-6-carbonyl-7-hydroxy-2,4-octadienoic acid 6-strobilactone-B ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O7
Net Charge0
Average Mass418.486
Monoisotopic Mass418.19915
SMILESCC(O)C(=O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12
InChIInChI=1S/C23H30O7/c1-14(24)16(25)8-5-6-9-18(26)30-17-12-15-13-29-20(27)23(15,28)22(4)11-7-10-21(2,3)19(17)22/h5-6,8-9,12,14,17,19,24,28H,7,10-11,13H2,1-4H3/b8-5+,9-6+/t14?,17-,19+,22+,23+/m1/s1
InChIKeyAEKOKNWQDFKVGO-RJMJCDTGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ustus (ncbitaxon:40382) - PubMed (21628915)
ChEBI Ontology
Outgoing Relation(s)
(E,E)-6-carbonyl-7-hydroxy-2,4-octadienoic acid 6-strobilactone-B ester (CHEBI:200680) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (2E,4E)-7-hydroxy-6-oxoocta-2,4-dienoate
Manual XrefsDatabases
27025549ChemSpider