Arabilin (CHEBI:204514)

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CHEBI:204514 - Arabilin

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ChEBI ID	CHEBI:204514
ChEBI Name	Arabilin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H31NO6
Net Charge	0
Average Mass	477.557
Monoisotopic Mass	477.21514
SMILES	COc1oc([C@@H]2CC(/C=C(C)\C=C(\C)C/C(C)=C/c3ccc([N+](=O)[O-])cc3)=CO2)c(C)c(=O)c1C
InChI	InChI=1S/C28H31NO6/c1-17(11-18(2)13-22-7-9-24(10-8-22)29(31)32)12-19(3)14-23-15-25(34-16-23)27-20(4)26(30)21(5)28(33-6)35-27/h7-10,12-14,16,25H,11,15H2,1-6H3/b17-12-,18-13+,19-14-/t25-/m0/s1
InChIKey	VDYKJNNKAHKFAL-MQFBFXNBSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (20736953)

ChEBI Ontology

Outgoing Relation(s)
	Arabilin (CHEBI:204514) is a C-nitro compound (CHEBI:35716)

IUPAC Name
2-methoxy-3,5-dimethyl-6-[4-[(1Z,3Z,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-1,3,6-trienyl]-2,3-dihydrouran-2-yl]pyran-4-one

Manual Xrefs	Databases
78434804	ChemSpider