EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187795 - Artonol D

ChEBI IDCHEBI:187795
ChEBI NameArtonol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O7
Net Charge0
Average Mass498.531
Monoisotopic Mass498.16785
SMILESC=C(C)C1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)C2=C1C(=O)C1=C(C=CC(C)(C)O1)C2=O
InChIInChI=1S/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3
InChIKeyBPBNMDXSLVPNFT-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)
Artonol D (CHEBI:187795) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
17-hydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione
Manual XrefsDatabases
HMDB0030495HMDB
8848293ChemSpider
LMPK12111510LIPID MAPS