Debromogrenadadiene (CHEBI:223729)

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CHEBI:223729 - Debromogrenadadiene

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ChEBI ID	CHEBI:223729
ChEBI Name	Debromogrenadadiene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H32O4
Net Charge	0
Average Mass	336.472
Monoisotopic Mass	336.23006
SMILES	CCCCCCC[C@H]1C[C@@H]1CCC(=O)O/C=C\C=C\COC(C)=O
InChI	InChI=1S/C20H32O4/c1-3-4-5-6-8-11-18-16-19(18)12-13-20(22)24-15-10-7-9-14-23-17(2)21/h7,9-10,15,18-19H,3-6,8,11-14,16H2,1-2H3/b9-7+,15-10-/t18-,19-/m0/s1
InChIKey	SCUPHZKUVOJZFO-VECWKQJSSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya majuscula (ncbitaxon:158786)	-	PubMed (9599279)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Debromogrenadadiene (CHEBI:223729) is a carbocyclic fatty acid (CHEBI:35744)

IUPAC Name
[(1Z,3E)-5-acetyloxypenta-1,3-dienyl] 3-[(1S,2S)-2-heptylcyclopropyl]propanoate

Manual Xrefs	Databases
8720252	ChemSpider