EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225224 - Glaucopine A

ChEBI IDCHEBI:225224
ChEBI NameGlaucopine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILESCO[C@@H]1C(C=O)=CC[C@@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@H]1O
InChIInChI=1S/C21H30O4/c1-12(2)14-8-9-20(3)16(23)10-21(4)15(17(14)20)7-6-13(11-22)18(25-5)19(21)24/h6,11-12,15,18-19,24H,7-10H2,1-5H3/t15-,18-,19+,20-,21-/m1/s1
InChIKeyAKKRSUAQLBEBRV-CMWLGVBASA-N
Species of MetaboliteComponentSourceComments
Hydnellum glaucopus (ncbitaxon:2780564) - PubMed (15729633)
ChEBI Ontology
Outgoing Relation(s)
Glaucopine A (CHEBI:225224) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aS,5aR,6R,7R,10aR)-6-hydroxy-7-methoxy-3a,5a-dimethyl-4-oxo-1-propan-2-yl-3,5,6,7,10,10a-hexahydro-2H-cyclohepta[e]indene-8-carbaldehyde
Manual XrefsDatabases
78437770ChemSpider