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CHEBI:180775 - Dioxinoacrimarine A

ChEBI IDCHEBI:180775
ChEBI NameDioxinoacrimarine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H23NO8
Net Charge0
Average Mass513.502
Monoisotopic Mass513.14237
SMILESCOc1cc(O)c2c(=O)c3ccc4c(c3n(C)c2c1)OCC(C)(/C=C/c1c(O)ccc2ccc(=O)oc12)O4
InChIInChI=1S/C29H23NO8/c1-29(11-10-17-20(31)7-4-15-5-9-23(33)37-27(15)17)14-36-28-22(38-29)8-6-18-25(28)30(2)19-12-16(35-3)13-21(32)24(19)26(18)34/h4-13,31-32H,14H2,1-3H3/b11-10+
InChIKeyAEXHLHGCDOTWGS-ZHACJKMWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
Dioxinoacrimarine A (CHEBI:180775) has functional parent acridone (CHEBI:50756)
Dioxinoacrimarine A (CHEBI:180775) is a acridines (CHEBI:22213)
IUPAC Name 
8-hydroxy-3-[(E)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-10-methoxy-3,12-dimethyl-2H-[1,4]dioxino[2,3-c]acridin-7-one
Manual XrefsDatabases
35015021ChemSpider
HMDB0040769HMDB