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CHEBI:216687 - Roseochelin A

ChEBI IDCHEBI:216687
ChEBI NameRoseochelin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O8
Net Charge0
Average Mass400.383
Monoisotopic Mass400.11582
SMILESCOc1cc(-c2cc(C(=O)O)cc3cc(OC)c(O)c(OC)c23)cc(OC)c1O
InChIInChI=1S/C21H20O8/c1-26-14-7-10(8-15(27-2)18(14)22)13-6-12(21(24)25)5-11-9-16(28-3)19(23)20(29-4)17(11)13/h5-9,22-23H,1-4H3,(H,24,25)
InChIKeyBWPZSCVLKKZAER-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Roseobacterspecies (ncbitaxon:1907202) - PubMed (28920692)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Roseochelin A (CHEBI:216687) is a naphthoic acid (CHEBI:25483)
IUPAC Name 
6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-5,7-dimethoxynaphthalene-2-carboxylic acid
Manual XrefsDatabases
62285708ChemSpider