Ambuic acid (CHEBI:201721)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Ambuic acid

ChEBI ID	CHEBI:201721

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H26O6

Net Charge

Average Mass

350.411

Monoisotopic Mass

350.17294

InChI

InChI=1S/C19H26O6/c1-3-4-5-6-7-8-13-14(11-20)15(21)17-19(25-17,16(13)22)10-9-12(2)18(23)24/h7-9,15,17,20-21H,3-6,10-11H2,1-2H3,(H,23,24)/b8-7+,12-9+

InChIKey

UDSQZJMGPSRCEM-ANKZSMJWSA-N

SMILES

O=C1C(=C(C(O)C2C1(O2)C/C=C(/C(=O)O)\C)CO)/C=C/CCCCC

Metabolite of Species	Details
Pestalotiopsisspecies (NCBI:txid36460)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Ambuic acid (CHEBI:201721) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

(E)-4-[3-[(E)-hept-1-enyl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid