Xanthorin 1-O-methyl ether 8-O-beta-D-ge (CHEBI:218731)

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CHEBI:218731 - Xanthorin 1-O-methyl ether 8-O-beta-D-ge

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ChEBI ID	CHEBI:218731
ChEBI Name	Xanthorin 1-O-methyl ether 8-O-beta-D-ge
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H34O17
Net Charge	0
Average Mass	654.574
Monoisotopic Mass	654.17960
SMILES	COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1O)C(=O)c1cc(CO)cc(OC)c1C2=O
InChI	InChI=1S/C29H34O17/c1-41-11-4-9(6-30)3-10-16(11)23(36)17-12(5-13(42-2)20(33)18(17)19(10)32)44-29-27(40)25(38)22(35)15(46-29)8-43-28-26(39)24(37)21(34)14(7-31)45-28/h3-5,14-15,21-22,24-31,33-35,37-40H,6-8H2,1-2H3
InChIKey	CVDFEWWKJZDCIF-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Dermocybe (ncbitaxon:47341)	-	DOI (10.1021/np990075k)

ChEBI Ontology

Outgoing Relation(s)
	Xanthorin 1-O-methyl ether 8-O-beta-D-ge (CHEBI:218731) is a anthraquinone (CHEBI:22580)

IUPAC Name
1-hydroxy-7-(hydroxymethyl)-2,5-dimethoxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione

Manual Xrefs	Databases
78444572	ChemSpider