Ambuic acid (CHEBI:201721)

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CHEBI:201721 - Ambuic acid

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ChEBI ID	CHEBI:201721
ChEBI Name	Ambuic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H26O6
Net Charge	0
Average Mass	350.411
Monoisotopic Mass	350.17294
SMILES	CCCCC/C=C/C1=C(CO)C(O)C2OC2(C/C=C(\C)C(=O)O)C1=O
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

Species of Metabolite	Component	Source	Comments
Pestalotiopsisspecies (ncbitaxon:36460)	-	DOI (10.1016/s0031-9422(00)00408-8)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
20057485	ChemSpider