Furaquinocin I (CHEBI:200445)

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CHEBI:200445 - Furaquinocin I

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ChEBI ID	CHEBI:200445
ChEBI Name	Furaquinocin I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H24O8
Net Charge	0
Average Mass	416.426
Monoisotopic Mass	416.14712
SMILES	COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@H](C)[C@]3(C)[C@H](O)C/C=C(\C)C(=O)O)C1=O
InChI	InChI=1S/C22H24O8/c1-9(21(27)28)6-7-14(24)22(4)11(3)30-20-15-12(8-13(23)16(20)22)18(26)19(29-5)10(2)17(15)25/h6,8,11,14,23-24H,7H2,1-5H3,(H,27,28)/b9-6+/t11-,14-,22-/m1/s1
InChIKey	JJZAZDAEVNRFGT-PILGHQHZSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)
	-	PubMed (21610713)
	-	PubMed (31986449)

ChEBI Ontology

Outgoing Relation(s)
	Furaquinocin I (CHEBI:200445) is a naphthofuran (CHEBI:39270)

IUPAC Names
(E,5R)-5-hydroxy-5-[(2R,3S)-4-hydroxy-7-methoxy-2,3,8-trimethyl-6,9-dioxo-2H-benzo[g][1]benzouran-3-yl]-2-methylpent-2-enoic acid
(2R,3S)-4,9-dihydroxy-3-[(1R)-1-hydroxy-4-methylpent-3-enyl]-2,3,8-trimethyl-2H-benzo[g][1]benzouran-6,7-dione

Manual Xrefs	Databases
28288898	ChemSpider