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CHEBI:202294 - (E)-4-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-3-[(E)-5-oxohept-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid

ChEBI IDCHEBI:202294
ChEBI Name(E)-4-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-3-[(E)-5-oxohept-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O7
Net Charge0
Average Mass364.394
Monoisotopic Mass364.15220
SMILESCCC(=O)CC/C=C/C1=C(CO)[C@@H](O)[C@H]2O[C@@]2(C/C=C(\C)C(=O)O)C1=O
InChIInChI=1S/C19H24O7/c1-3-12(21)6-4-5-7-13-14(10-20)15(22)17-19(26-17,16(13)23)9-8-11(2)18(24)25/h5,7-8,15,17,20,22H,3-4,6,9-10H2,1-2H3,(H,24,25)/b7-5+,11-8+/t15-,17-,19+/m1/s1
InChIKeyHXIWCEVPZJLOTE-GFEZWCFYSA-N
Species of MetaboliteComponentSourceComments
Multiclavulaspecies (ncbitaxon:2506259) - PubMed (19117486)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E)-4-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-3-[(E)-5-oxohept-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid (CHEBI:202294) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
(E)-4-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-3-[(E)-5-oxohept-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
Manual XrefsDatabases
24625388ChemSpider