EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169779 - Artelastochromene

ChEBI IDCHEBI:169779
ChEBI NameArtelastochromene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30O6
Net Charge0
Average Mass486.564
Monoisotopic Mass486.20424
SMILESCC(C)=CCc1c2c(c(O)c3c(=O)c4c(oc13)-c1ccc(O)cc1OC4C=C(C)C)C=CC(C)(C)O2
InChIInChI=1S/C30H30O6/c1-15(2)7-9-20-27-19(11-12-30(5,6)36-27)25(32)24-26(33)23-22(13-16(3)4)34-21-14-17(31)8-10-18(21)28(23)35-29(20)24/h7-8,10-14,22,31-32H,9H2,1-6H3
InChIKeyNECAWZYXMSKYRB-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)
Artelastochromene (CHEBI:169779) is a extended flavonoid (CHEBI:71037)
IUPAC Name 
7,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-13-one
Manual XrefsDatabases
4581491ChemSpider
LMPK12111533LIPID MAPS