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CHEBI:185688 - Acrimarine I

ChEBI IDCHEBI:185688
ChEBI NameAcrimarine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H31NO7
Net Charge0
Average Mass565.622
Monoisotopic Mass565.21005
SMILESCOc1cc2oc(=O)ccc2cc1C(C=C(C)C)c1c2c(c3c(c1O)c(=O)c1cccc(O)c1n3C)C=CC(C)(C)O2
InChIInChI=1S/C34H31NO7/c1-17(2)14-22(21-15-18-10-11-26(37)41-24(18)16-25(21)40-6)27-32(39)28-30(20-12-13-34(3,4)42-33(20)27)35(5)29-19(31(28)38)8-7-9-23(29)36/h7-16,22,36,39H,1-6H3
InChIKeyGSUYTELQWICLMF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Acrimarine I (CHEBI:185688) has functional parent acridone (CHEBI:50756)
Acrimarine I (CHEBI:185688) is a acridines (CHEBI:22213)
IUPAC Name 
6,11-dihydroxy-5-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Manual XrefsDatabases
HMDB0040387HMDB
35014941ChemSpider