Cyathiformine B (CHEBI:207678)

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CHEBI:207678 - Cyathiformine B

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ChEBI ID	CHEBI:207678
ChEBI Name	Cyathiformine B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H16O8
Net Charge	0
Average Mass	288.252
Monoisotopic Mass	288.08452
SMILES	C=C(O[C@@H]1C=C(C(=O)OC)[C@H](O)[C@@H](O)[C@H]1O)C(=O)OC
InChI	InChI=1S/C12H16O8/c1-5(11(16)18-2)20-7-4-6(12(17)19-3)8(13)10(15)9(7)14/h4,7-10,13-15H,1H2,2-3H3/t7-,8+,9+,10-/m1/s1
InChIKey	VTWHFQDOQSSIID-XFWSIPNHSA-N

Species of Metabolite	Component	Source	Comments
Clitocybe (ncbitaxon:50966)	-	DOI (10.1016/s0040-4020(01)87202-1)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Cyathiformine B (CHEBI:207678) is a 3-hydroxy carboxylic acid (CHEBI:61355)

IUPAC Name
methyl (3R,4R,5R,6S)-4,5,6-trihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexene-1-carboxylate

Manual Xrefs	Databases
8441576	ChemSpider