Ampelanol (CHEBI:200309)

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CHEBI:200309 - Ampelanol

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ChEBI ID	CHEBI:200309
ChEBI Name	Ampelanol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H20O8
Net Charge	0
Average Mass	340.328
Monoisotopic Mass	340.11582
SMILES	COc1cc(O)c2c(c1)[C@H](O)[C@@H]1[C@@H](C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]1O
InChI	InChI=1S/C16H20O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,9-11,13-15,17-18,20-23H,1-2H3/t9-,10-,11-,13-,14+,15+,16-/m0/s1
InChIKey	WYVKBAUSAOYEHR-DQJRHUNDSA-N

Species of Metabolite	Component	Source	Comments
Ampelomycesspecies (ncbitaxon:1935294)	-	PubMed (18400237)

ChEBI Ontology

Outgoing Relation(s)
	Ampelanol (CHEBI:200309) is a anthracenes (CHEBI:46955)

IUPAC Name
(1S,2R,3S,4R,4aS,9aR,10R)-1,2,3,4,8,10-hexahydroxy-6-methoxy-3-methyl-1,2,4,4a,9a,10-hexahydroanthracen-9-one

Manual Xrefs	Databases
28501912	ChemSpider