EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220911 - Xylaral B

ChEBI IDCHEBI:220911
ChEBI NameXylaral B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O7
Net Charge0
Average Mass432.513
Monoisotopic Mass432.21480
SMILESCCCCCCCCC/C=C/C(=O)CCc1c(O)c(C=O)c2c(c1O)C(=O)O[C@@H]2OC
InChIInChI=1S/C24H32O7/c1-3-4-5-6-7-8-9-10-11-12-16(26)13-14-17-21(27)18(15-25)19-20(22(17)28)23(29)31-24(19)30-2/h11-12,15,24,27-28H,3-10,13-14H2,1-2H3/b12-11+/t24-/m0/s1
InChIKeyYRXWGGJQBXWLGR-LCJITAHGSA-N
Species of MetaboliteComponentSourceComments
Xylaria polymorpha (ncbitaxon:77046) - PubMed (29262728)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Xylaral B (CHEBI:220911) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
5,7-dihydroxy-3-methoxy-1-oxo-6-[(E)-3-oxotetradec-4-enyl]-3H-2-benzouran-4-carbaldehyde
Manual XrefsDatabases
78435320ChemSpider