EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191764 - Tovophyllin B

ChEBI IDCHEBI:191764
ChEBI NameTovophyllin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O6
Net Charge0
Average Mass460.526
Monoisotopic Mass460.18859
SMILESCC(C)=CCc1c(O)c2c(c3c(=O)c4c(O)c5c(cc4oc13)OC(C)(C)C=C5)C=CC(C)(C)O2
InChIInChI=1S/C28H28O6/c1-14(2)7-8-17-23(30)26-16(10-12-28(5,6)34-26)20-24(31)21-19(32-25(17)20)13-18-15(22(21)29)9-11-27(3,4)33-18/h7,9-13,29-30H,8H2,1-6H3
InChIKeyNKTLGMPGRFCLNF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Tovophyllin B (CHEBI:191764) is a xanthones (CHEBI:51149)
IUPAC Name 
10,22-dihydroxy-7,7,18,18-tetramethyl-11-(3-methylbut-2-enyl)-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,5,9,11,14,16(21),19-octaen-2-one
Manual XrefsDatabases
HMDB0030556HMDB
444609ChemSpider