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CHEBI:207121 - Daldinone J

ChEBI IDCHEBI:207121
ChEBI NameDaldinone J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O6
Net Charge0
Average Mass350.326
Monoisotopic Mass350.07904
SMILESO=C1CC(O)C2=C3c4cccc(O)c4C(=O)[C@@H](O)[C@@H]3c3ccc(O)c1c32
InChIInChI=1S/C20H14O6/c21-9-3-1-2-7-13(9)19(25)20(26)16-8-4-5-10(22)17-11(23)6-12(24)18(14(7)16)15(8)17/h1-5,12,16,20-22,24,26H,6H2/t12?,16-,20+/m1/s1
InChIKeyNTUQETAZLLDXIV-GARHKUQKSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylonspecies (ncbitaxon:1896106) - DOI (10.1039/c6ra27306h)
ChEBI Ontology
Outgoing Relation(s)
Daldinone J (CHEBI:207121) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione
Manual XrefsDatabases
61708742ChemSpider