EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175114 - (-)-Shinpterocarpin

Default Structure
ChEBI IDCHEBI:175114
ChEBI Name(-)-Shinpterocarpin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O4
Net Charge0
Average Mass322.360
Monoisotopic Mass322.12051
SMILESCC1(C)C=Cc2c(ccc3c2OCC2c4ccc(O)cc4OC32)O1
InChIInChI=1S/C20H18O4/c1-20(2)8-7-13-16(24-20)6-5-14-18(13)22-10-15-12-4-3-11(21)9-17(12)23-19(14)15/h3-9,15,19,21H,10H2,1-2H3
InChIKeyQGPHRCQDTPCIQI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(-)-Shinpterocarpin (CHEBI:175114) is a pterocarpans (CHEBI:26377)
IUPAC Name 
17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),4(9),5,7,14(19),15,20-heptaen-6-ol
Manual XrefsDatabases
35015118ChemSpider
HMDB0041167HMDB