1,3,6,7-8-Pentahydroxy-2-methoxyethylant (CHEBI:206305)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206305 - 1,3,6,7-8-Pentahydroxy-2-methoxyethylant

Take structure to advanced search

ChEBI ID	CHEBI:206305
ChEBI Name	1,3,6,7-8-Pentahydroxy-2-methoxyethylant
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H14O8
Net Charge	0
Average Mass	346.291
Monoisotopic Mass	346.06887
SMILES	CO[C@H](C)c1c(O)cc2c(c1O)C(=O)c1c(cc(O)c(O)c1O)C2=O
InChI	InChI=1S/C17H14O8/c1-5(25-2)10-8(18)3-6-11(15(10)22)16(23)12-7(13(6)20)4-9(19)14(21)17(12)24/h3-5,18-19,21-22,24H,1-2H3/t5-/m1/s1
InChIKey	VNAWZSWHDQAJAB-RXMQYKEDSA-N

Species of Metabolite	Component	Source	Comments
Microsphaeropsisspecies (ncbitaxon:1874263)	-	DOI (10.1021/np9905259)

ChEBI Ontology

Outgoing Relation(s)
	1,3,6,7-8-Pentahydroxy-2-methoxyethylant (CHEBI:206305) is a hydroxyanthraquinones (CHEBI:37485)

IUPAC Name
1,2,3,6,8-pentahydroxy-7-[(1R)-1-methoxyethyl]anthracene-9,10-dione

Manual Xrefs	Databases
8935308	ChemSpider