3′-hydroxy-beta-rubromycin (CHEBI:199275)

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CHEBI:199275 - 3′-hydroxy-beta-rubromycin

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ChEBI ID	CHEBI:199275
ChEBI Name	3′-hydroxy-beta-rubromycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H20O13
Net Charge	0
Average Mass	552.444
Monoisotopic Mass	552.09039
SMILES	COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)OC1(CC3)OC2=C(C(=O)c3c(OC)cc(OC)c(O)c3C2=O)C1O
InChI	InChI=1S/C27H20O13/c1-35-11-8-12(36-2)18(28)16-15(11)19(29)17-23(21(16)31)40-27(24(17)32)5-4-9-6-10-7-13(25(33)37-3)38-26(34)14(10)20(30)22(9)39-27/h6-8,24,28,30,32H,4-5H2,1-3H3
InChIKey	ALEFWKBEHYAYBG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies A161 (ncbitaxon:446782)	-	DOI (10.1002/(sici)1099-0690(200003)2000:5<729::aid-ejoc729>3.0.co;2-2)

ChEBI Ontology

Outgoing Relation(s)
	3′-hydroxy-beta-rubromycin (CHEBI:199275) is a chromenes (CHEBI:23232)

IUPAC Name
methyl 3',8',10-trihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[][1]benzouran]-7-carboxylate

Manual Xrefs	Databases
4587550	ChemSpider