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CHEBI:217867 - Diaporthol B

ChEBI IDCHEBI:217867
ChEBI NameDiaporthol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESCc1cc(CO)c2c(c1)OC(=O)c1c(ccc3c1OC(C)(C)C=C3)O2
InChIInChI=1S/C20H18O5/c1-11-8-13(10-21)17-15(9-11)24-19(22)16-14(23-17)5-4-12-6-7-20(2,3)25-18(12)16/h4-9,21H,10H2,1-3H3
InChIKeyIGYLHMXSGVPMKZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - DOI (10.1016/j.tetlet.2018.02.032)
ChEBI Ontology
Outgoing Relation(s)
Diaporthol B (CHEBI:217867) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
4-(hydroxymethyl)-6,14,14-trimethyl-2,9,13-trioxatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12(17),15,18-heptaen-10-one
Manual XrefsDatabases
78435288ChemSpider