EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203497 - 5'-Hydroxymonocillin III

ChEBI IDCHEBI:203497
ChEBI Name5'-Hydroxymonocillin III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O7
Net Charge0
Average Mass348.351
Monoisotopic Mass348.12090
SMILESC[C@@H]1C[C@H]2OC2C[C@H](O)/C=C\C(=O)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H20O7/c1-9-4-15-16(25-15)8-12(20)3-2-11(19)5-10-6-13(21)7-14(22)17(10)18(23)24-9/h2-3,6-7,9,12,15-16,20-22H,4-5,8H2,1H3/b3-2-/t9-,12-,15-,16?/m1/s1
InChIKeyPDABOOGSLAXXJV-WVOHVCFMSA-N
Species of MetaboliteComponentSourceComments
Neophaeosphaeria quadriseptata (ncbitaxon:125377) - PubMed (18052326)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5'-Hydroxymonocillin III (CHEBI:203497) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(4R,6R,10S,11Z)-10,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
Manual XrefsDatabases
78442573ChemSpider