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CHEBI:226826 - (2R,4R,7S,8R,9E,12S)-7,8,16,18-tetrahydroxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraen-14-one

ChEBI IDCHEBI:226826
ChEBI Name(2R,4R,7S,8R,9E,12S)-7,8,16,18-tetrahydroxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraen-14-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O7
Net Charge0
Average Mass350.367
Monoisotopic Mass350.13655
SMILESC[C@H]1C/C=C/[C@@H](O)[C@@H](O)CC[C@H]2O[C@@H]2c2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H22O7/c1-9-3-2-4-12(20)13(21)5-6-15-17(25-15)11-7-10(19)8-14(22)16(11)18(23)24-9/h2,4,7-9,12-13,15,17,19-22H,3,5-6H2,1H3/b4-2+/t9-,12+,13-,15+,17+/m0/s1
InChIKeyNIYNEOZUYHJSJS-VWRXRXDESA-N
Species of MetaboliteComponentSourceComments
Hypomyces (ncbitaxon:5130) - PubMed (17067161)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2R,4R,7S,8R,9E,12S)-7,8,16,18-tetrahydroxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraen-14-one (CHEBI:226826) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(2R,4R,7S,8R,9E,12S)-7,8,16,18-tetrahydroxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraen-14-one
Manual XrefsDatabases
17250181ChemSpider