(2R,3R)-1,2,3,4-butanetetraol-1,4-diorsellinate (CHEBI:218390)

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CHEBI:218390 - (2R,3R)-1,2,3,4-butanetetraol-1,4-diorsellinate

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ChEBI ID	CHEBI:218390
ChEBI Name	(2R,3R)-1,2,3,4-butanetetraol-1,4-diorsellinate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H22O10
Net Charge	0
Average Mass	422.386
Monoisotopic Mass	422.12130
SMILES	Cc1cc(O)cc(O)c1C(=O)OC[C@@H](O)[C@H](O)COC(=O)c1c(C)cc(O)cc1O
InChI	InChI=1S/C20H22O10/c1-9-3-11(21)5-13(23)17(9)19(27)29-7-15(25)16(26)8-30-20(28)18-10(2)4-12(22)6-14(18)24/h3-6,15-16,21-26H,7-8H2,1-2H3/t15-,16-/m1/s1
InChIKey	PMCZCBBEXYZDFW-HZPDHXFCSA-N

Species of Metabolite	Component	Source	Comments
Ascotrichaspecies ZJ-M-5 (ncbitaxon:1217164)	-	PubMed (28276771)

ChEBI Ontology

Outgoing Relation(s)
	(2R,3R)-1,2,3,4-butanetetraol-1,4-diorsellinate (CHEBI:218390) is a 4-hydroxybenzoate ester (CHEBI:79323)

IUPAC Name
[(2R,3R)-4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2,3-dihydroxybutyl] 2,4-dihydroxy-6-methylbenzoate

Manual Xrefs	Databases
78439426	ChemSpider