EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176162 - Erinacine D

ChEBI IDCHEBI:176162
ChEBI NameErinacine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O7
Net Charge0
Average Mass478.626
Monoisotopic Mass478.29305
SMILESCCOC1CC2C3=C(C(C)C)CCC3(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=O
InChIInChI=1S/C27H42O7/c1-6-32-20-12-18-22-17(15(2)3)7-8-26(22,4)9-10-27(18,5)21(11-16(20)13-28)34-25-24(31)23(30)19(29)14-33-25/h11,13,15,18-21,23-25,29-31H,6-10,12,14H2,1-5H3
InChIKeyZQHNREXELVXBCG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Erinacine D (CHEBI:176162) is a diterpenoid (CHEBI:23849)
IUPAC Name 
9-ethoxy-3a,5a-dimethyl-1-propan-2-yl-6-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]indene-8-carbaldehyde
Manual XrefsDatabases
8088616ChemSpider
HMDB0031896HMDB