EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192890 - Brosimacutin D

ChEBI IDCHEBI:192890
ChEBI NameBrosimacutin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O5
Net Charge0
Average Mass340.375
Monoisotopic Mass340.13107
SMILESCC1(C)Oc2ccc3c(c2CC1O)O[C@H](c1ccc(O)cc1)CC3=O
InChIInChI=1S/C20H20O5/c1-20(2)18(23)9-14-16(25-20)8-7-13-15(22)10-17(24-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21,23H,9-10H2,1-2H3/t17-,18?/m0/s1
InChIKeyAZGSCHIQUAKTNP-ZENAZSQFSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Brosimacutin D (CHEBI:192890) is a flavanones (CHEBI:28863)
IUPAC Name 
(2S)-9-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
Manual XrefsDatabases
9090021ChemSpider
LMPK12140055LIPID MAPS