Cristatumside A (CHEBI:205428)

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CHEBI:205428 - Cristatumside A

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ChEBI ID	CHEBI:205428
ChEBI Name	Cristatumside A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H24O9
Net Charge	0
Average Mass	360.359
Monoisotopic Mass	360.14203
SMILES	COc1cc(C)c(C(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(OC)c1
InChI	InChI=1S/C16H24O9/c1-8-4-9(23-2)5-12(24-3)13(8)16(22)25-7-11(19)15(21)14(20)10(18)6-17/h4-5,10-11,14-15,17-21H,6-7H2,1-3H3/t10-,11-,14-,15-/m0/s1
InChIKey	GHYNYYCIHYFSPW-GVARAGBVSA-N

Species of Metabolite	Component	Source	Comments
Eurotium (ncbitaxon:28569)	-	DOI (10.1002/hlca.201300358)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cristatumside A (CHEBI:205428) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name
[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] 2,4-dimethoxy-6-methylbenzoate

Manual Xrefs	Databases
34981921	ChemSpider