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CHEBI:181037 - Cephalochromin

ChEBI IDCHEBI:181037
ChEBI NameCephalochromin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H22O10
Net Charge0
Average Mass518.474
Monoisotopic Mass518.12130
SMILESCC1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)CC6=O)c(O)cc(O)c3c2O)O1
InChIInChI=1S/C28H22O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h5-10,31-36H,3-4H2,1-2H3
InChIKeyJGQBYBXYRUCBQY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cephalochromin (CHEBI:181037) is a organic heterotricyclic compound (CHEBI:26979)
Cephalochromin (CHEBI:181037) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one
Manual XrefsDatabases
140746ChemSpider
Registry NumbersSources
CAS:25908-26-3ChemIDplus