Flagranone A (CHEBI:197662)

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CHEBI:197662 - Flagranone A

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ChEBI ID	CHEBI:197662
ChEBI Name	Flagranone A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H32O7
Net Charge	0
Average Mass	456.535
Monoisotopic Mass	456.21480
SMILES	CC(=O)OCC1=CC(=O)C2(C(/C=C(C)/C=C/C=C(\C)CCC=C(C)C)OC(C)=O)OC2C1=O
InChI	InChI=1S/C26H32O7/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-23(32-20(6)28)26-22(29)14-21(15-31-19(5)27)24(30)25(26)33-26/h8-9,11-14,23,25H,7,10,15H2,1-6H3/b12-8+,17-11+,18-13+
InChIKey	PJRVHWMZLRRRMF-ZQEGAJDDSA-N

Species of Metabolite	Component	Source	Comments
Arthrobotrys flagrans (ncbitaxon:97331)	-	PubMed (10656575)

ChEBI Ontology

Outgoing Relation(s)
	Flagranone A (CHEBI:197662) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
[6-[(2E,4E,6E)-1-acetyloxy-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate

Manual Xrefs	Databases
8751156	ChemSpider