Macrosporin 2-O-(6′-acetyl)-a-D-glucopyranoside (CHEBI:224415)

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CHEBI:224415 - Macrosporin 2-O-(6′-acetyl)-a-D-glucopyranoside

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ChEBI ID	CHEBI:224415
ChEBI Name	Macrosporin 2-O-(6′-acetyl)-a-D-glucopyranoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H24O11
Net Charge	0
Average Mass	488.445
Monoisotopic Mass	488.13186
SMILES	COc1cc(O)c2c(c1)C(=O)c1cc(C)c(O[C@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)cc1C2=O
InChI	InChI=1S/C24H24O11/c1-9-4-12-13(20(28)18-14(19(12)27)5-11(32-3)6-15(18)26)7-16(9)34-24-23(31)22(30)21(29)17(35-24)8-33-10(2)25/h4-7,17,21-24,26,29-31H,8H2,1-3H3/t17-,21-,22+,23-,24+/m1/s1
InChIKey	SIAFXYFDIILGJD-JCTDHXFVSA-N

Species of Metabolite	Component	Source	Comments
Stemphyliumspecies 33231 (ncbitaxon:1418481)	-	PubMed (25136754)

ChEBI Ontology

Outgoing Relation(s)
	Macrosporin 2-O-(6′-acetyl)-a-D-glucopyranoside (CHEBI:224415) is a anthraquinone (CHEBI:22580)

IUPAC Name
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(8-hydroxy-6-methoxy-3-methyl-9,10-dioxoanthracen-2-yl)oxyoxan-2-yl]methyl acetate

Manual Xrefs	Databases
34981281	ChemSpider