Halorosellinia A (CHEBI:202061)

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CHEBI:202061 - Halorosellinia A

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ChEBI ID	CHEBI:202061
ChEBI Name	Halorosellinia A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H20O8
Net Charge	0
Average Mass	340.328
Monoisotopic Mass	340.11582
SMILES	COc1cc(O)c2c(c1O)[C@@H](O)[C@H]1C[C@](C)(O)[C@H](O)[C@@H](O)[C@@H]1C2=O
InChI	InChI=1S/C16H20O8/c1-16(23)4-5-8(14(21)15(16)22)13(20)9-6(17)3-7(24-2)12(19)10(9)11(5)18/h3,5,8,11,14-15,17-19,21-23H,4H2,1-2H3/t5-,8-,11-,14-,15+,16-/m0/s1
InChIKey	BECCUNGYVJUQCO-CCAKZRNXSA-N

Species of Metabolite	Component	Source	Comments
Halorosellinia (ncbitaxon:190946)	-	PubMed (17894425)

ChEBI Ontology

Outgoing Relation(s)
	Halorosellinia A (CHEBI:202061) is a anthracenes (CHEBI:46955)

IUPAC Name
(1S,2R,3S,4aS,9aR,10S)-1,2,3,5,8,10-hexahydroxy-6-methoxy-3-methyl-1,2,4,4a,9a,10-hexahydroanthracen-9-one

Manual Xrefs	Databases
27023155	ChemSpider