EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185939 - Ambonane

Default Structure
ChEBI IDCHEBI:185939
ChEBI NameAmbonane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O5
Net Charge0
Average Mass324.332
Monoisotopic Mass324.09977
SMILESCOc1ccc2c(c1OC)OC1c3cc4ccoc4cc3OCC21
InChIInChI=1S/C19H16O5/c1-20-14-4-3-11-13-9-23-16-8-15-10(5-6-22-15)7-12(16)17(13)24-18(11)19(14)21-2/h3-8,13,17H,9H2,1-2H3
InChIKeyHHWQSUBEFRHIGU-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)
Ambonane (CHEBI:185939) is a pterocarpans (CHEBI:26377)
IUPAC Name 
17,18-dimethoxy-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaene
Manual XrefsDatabases
24842998ChemSpider
LMPK12070038LIPID MAPS