(2S,10R,3'S,4'S,6'S)-4'-deacetyl-griseusin B methyl ester (CHEBI:203339)

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CHEBI:203339 - (2S,10R,3'S,4'S,6'S)-4'-deacetyl-griseusin B methyl ester

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ChEBI ID	CHEBI:203339
ChEBI Name	(2S,10R,3'S,4'S,6'S)-4'-deacetyl-griseusin B methyl ester
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Submitter	MetaboLights
Downloads	Molfile

Formula	C21H22O9
Net Charge	0
Average Mass	418.398
Monoisotopic Mass	418.12638
SMILES	COC(=O)C[C@H]1CC2=C(C(=O)c3c(O)cccc3C2=O)[C@@]2(O1)O[C@@H](C)C[C@H](O)[C@@H]2O
InChI	InChI=1S/C21H22O9/c1-9-6-14(23)20(27)21(29-9)17-12(7-10(30-21)8-15(24)28-2)18(25)11-4-3-5-13(22)16(11)19(17)26/h3-5,9-10,14,20,22-23,27H,6-8H2,1-2H3/t9-,10+,14-,20-,21-/m0/s1
InChIKey	FCQDOFMWLSTZJE-SZXKUEQVSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (21934691)

Roles Classification

Biological Role:

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	(2S,10R,3'S,4'S,6'S)-4'-deacetyl-griseusin B methyl ester (CHEBI:203339) is a benzoisochromanequinone (CHEBI:48129)

IUPAC Name
methyl 2-[(1S,3R,3'S,4'S,6'S)-3',4',9-trihydroxy-6'-methyl-5,10-dioxospiro[3,4-dihydrobenzo[g]isochromene-1,2'-oxane]-3-yl]acetate

Manual Xrefs	Databases
58826672	ChemSpider