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CHEBI:214704 - Orsellinylmontagnetol B

ChEBI IDCHEBI:214704
ChEBI NameOrsellinylmontagnetol B
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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](CO)OC(=O)c1c(C)cc(O)cc1O
InChIInChI=1S/C20H22O10/c1-9-3-11(22)5-13(24)17(9)19(27)29-8-15(26)16(7-21)30-20(28)18-10(2)4-12(23)6-14(18)25/h3-6,15-16,21-26H,7-8H2,1-2H3/t15-,16+/m1/s1
InChIKeyJBPYESXXRDZADY-CVEARBPZSA-N
Species of MetaboliteComponentSourceComments
Roccella montagnei (ncbitaxon:91946) - PubMed (28222890)
ChEBI Ontology
Outgoing Relation(s)
Orsellinylmontagnetol B (CHEBI:214704) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(2R,3S)-3-(2,4-dihydroxy-6-methylbenzoyl)oxy-2,4-dihydroxybutyl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
78443528ChemSpider