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CHEBI:207539 - Heptemerone G

ChEBI IDCHEBI:207539
ChEBI NameHeptemerone G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC(=O)O[C@H]1CC[C@@]2(C)CC[C@@]3(C)C(=CC2=C1C=O)C(=O)C[C@@H]3C(C)C
InChIInChI=1S/C22H30O4/c1-13(2)16-11-19(25)18-10-17-15(12-23)20(26-14(3)24)6-7-21(17,4)8-9-22(16,18)5/h10,12-13,16,20H,6-9,11H2,1-5H3/t16-,20+,21+,22-/m1/s1
InChIKeyARPMJUSHFPKJRY-YPVJZLTNSA-N
Species of MetaboliteComponentSourceComments
Coprinellus heptemerus (ncbitaxon:71708) - PubMed (16156515)
ChEBI Ontology
Outgoing Relation(s)
Heptemerone G (CHEBI:207539) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(3R,3aR,5aR,8S)-9-ormyl-3a,5a-dimethyl-1-oxo-3-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-benzo[]azulen-8-yl] acetate
Manual XrefsDatabases
9397136ChemSpider