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CHEBI:199263 - Daldinone E

ChEBI IDCHEBI:199263
ChEBI NameDaldinone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H13ClO6
Net Charge0
Average Mass384.771
Monoisotopic Mass384.04007
SMILESO=c1ccc2c3c4c(c(O)cc3c3ccc(O)c1c3-2)[C@H](O)[C@H](O)[C@H](Cl)C=4O
InChIInChI=1S/C20H13ClO6/c21-17-18(25)16-13-7-2-4-10(23)14-9(22)3-1-6(12(7)14)8(13)5-11(24)15(16)19(26)20(17)27/h1-5,17,19-20,22,24-27H/t17-,19+,20-/m1/s1
InChIKeyXLURHSMMMKNSGH-YZGWKJHDSA-N
Species of MetaboliteComponentSourceComments
Daldiniaspecies (ncbitaxon:1769485) - PubMed (25338315)
ChEBI Ontology
Outgoing Relation(s)
Daldinone E (CHEBI:199263) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(5S,6S,7S)-5-chloro-4,6,7,9,15-pentahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3,8,10,12(20),13,15,18-octaen-17-one
Manual XrefsDatabases
78440039ChemSpider