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CHEBI:226786 - Kirschsteinin C

ChEBI IDCHEBI:226786
ChEBI NameKirschsteinin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H20O10
Net Charge0
Average Mass480.425
Monoisotopic Mass480.10565
SMILESCOC1=CC(=O)c2c(cc(OC)c([C@H](C)C3=C(O)c4c(O)cc(OC)cc4C(=O)C3=O)c2O)C1=O
InChIInChI=1S/C25H20O10/c1-9(18-24(31)19-11(22(29)25(18)32)5-10(33-2)6-13(19)26)17-15(34-3)7-12-20(23(17)30)14(27)8-16(35-4)21(12)28/h5-9,26,30-31H,1-4H3/t9-/m0/s1
InChIKeyYTBKUHQYXWVQNC-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Pyrenochaetopsis (ncbitaxon:798144) - PubMed (33006889)
ChEBI Ontology
Outgoing Relation(s)
Kirschsteinin C (CHEBI:226786) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
4,5-dihydroxy-3-[1-(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)ethyl]-7-methoxynaphthalene-1,2-dione