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CHEBI:169869 - Cycloartobiloxanthone

ChEBI IDCHEBI:169869
ChEBI NameCycloartobiloxanthone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22O7
Net Charge0
Average Mass434.444
Monoisotopic Mass434.13655
SMILESCC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2c(O)cc(O)c3c2C(C4)C(C)(C)O3)O1
InChIInChI=1S/C25H22O7/c1-24(2)6-5-10-16(31-24)9-14(27)19-20(29)11-7-12-17-18(22(11)30-21(10)19)13(26)8-15(28)23(17)32-25(12,3)4/h5-6,8-9,12,26-28H,7H2,1-4H3
InChIKeyOCZFLOUWXXGBPC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Cycloartobiloxanthone (CHEBI:169869) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
12,21,23-trihydroxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4(13),5(10),6,11,20,22-octaen-14-one
Manual XrefsDatabases
8518318ChemSpider
LMPK12111514LIPID MAPS