EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172660 - Artonol B

ChEBI IDCHEBI:172660
ChEBI NameArtonol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H20O7
Net Charge0
Average Mass420.417
Monoisotopic Mass420.12090
SMILESCC(=O)c1c2c(cc3c(=O)c4c(O)cc5c(c4oc13)C=CC(C)(C)O5)C(C)(C)OC2=O
InChIInChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3
InChIKeyLWJBUOOKYYTUDX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Artonol B (CHEBI:172660) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14(19),15,20-heptaene-2,8-dione
Manual XrefsDatabases
HMDB0030488HMDB
8916129ChemSpider