Nostovalerolactone (CHEBI:222784)

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CHEBI:222784 - Nostovalerolactone

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ChEBI ID	CHEBI:222784
ChEBI Name	Nostovalerolactone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H26O7
Net Charge	0
Average Mass	378.421
Monoisotopic Mass	378.16785
SMILES	C=C1OC(=O)C2(O)OC(C/C=C/C=C/CCCC)C(C)(O)CC(=O)C2=C1O
InChI	InChI=1S/C20H26O7/c1-4-5-6-7-8-9-10-11-15-19(3,24)12-14(21)16-17(22)13(2)26-18(23)20(16,25)27-15/h7-10,15,22,24-25H,2,4-6,11-12H2,1,3H3/b8-7+,10-9+
InChIKey	QXPZEZOOTRAIDT-XBLVEGMJSA-N

Species of Metabolite	Component	Source	Comments
Nostoc punctiforme (ncbitaxon:272131)	-	PubMed (35403785)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Nostovalerolactone (CHEBI:222784) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
3,6,9a-trihydroxy-3-methyl-7-methylidene-2-[(2E,4E)-nona-2,4-dienyl]-2,4-dihydropyrano[3,4-b]oxepine-5,9-dione