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CHEBI:199814 - K1115 B2

ChEBI IDCHEBI:199814
ChEBI NameK1115 B2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O9
Net Charge0
Average Mass446.452
Monoisotopic Mass446.15768
SMILESCCCC1OC(C)=Cc2cc3c(c(O)c21)C(=O)C(C1OCC(O)C(CO)O1)=C(OC)C3=O
InChIInChI=1S/C23H26O9/c1-4-5-14-16-11(6-10(2)31-14)7-12-17(20(16)27)21(28)18(22(29-3)19(12)26)23-30-9-13(25)15(8-24)32-23/h6-7,13-15,23-25,27H,4-5,8-9H2,1-3H3
InChIKeyOVYINHDUCFPXIJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9711217)
ChEBI Ontology
Outgoing Relation(s)
K1115 B2 (CHEBI:199814) is a quinone (CHEBI:36141)
IUPAC Name 
10-hydroxy-8-[5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-7-methoxy-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione
Manual XrefsDatabases
8798607ChemSpider