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CHEBI:218094 - (E)-4-[(1R,5R,6R)-4-(acetyloxymethyl)-3-[(E)-hept-1-enyl]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid

ChEBI IDCHEBI:218094
ChEBI Name(E)-4-[(1R,5R,6R)-4-(acetyloxymethyl)-3-[(E)-hept-1-enyl]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O7
Net Charge0
Average Mass392.448
Monoisotopic Mass392.18350
SMILESCCCCC/C=C/C1=C(COC(C)=O)[C@@H](O)[C@H]2O[C@@]2(C/C=C(\C)C(=O)O)C1=O
InChIInChI=1S/C21H28O7/c1-4-5-6-7-8-9-15-16(12-27-14(3)22)17(23)19-21(28-19,18(15)24)11-10-13(2)20(25)26/h8-10,17,19,23H,4-7,11-12H2,1-3H3,(H,25,26)/b9-8+,13-10+/t17-,19-,21+/m1/s1
InChIKeyFUWUXINGPGJNLY-XCWDVTCQSA-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)-4-(acetyloxymethyl)-3-[(E)-hept-1-enyl]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid (CHEBI:218094) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
(E)-4-[(1R,5R,6R)-4-(acetyloxymethyl)-3-[(E)-hept-1-enyl]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
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