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CHEBI:214709 - Orsellinylmontagnetol C

ChEBI IDCHEBI:214709
ChEBI NameOrsellinylmontagnetol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O10
Net Charge0
Average Mass422.386
Monoisotopic Mass422.12130
SMILESCc1cc(O)cc(O)c1C(=O)OC[C@@H](O)[C@@H](O)COC(=O)c1c(C)cc(O)cc1O
InChIInChI=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+
InChIKeyPMCZCBBEXYZDFW-IYBDPMFKSA-N
Species of MetaboliteComponentSourceComments
Roccella montagnei (ncbitaxon:91946) - PubMed (28222890)
ChEBI Ontology
Outgoing Relation(s)
Orsellinylmontagnetol C (CHEBI:214709) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(2S,3R)-4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2,3-dihydroxybutyl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
78443529ChemSpider