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CHEBI:205148 - Heptemerone F

ChEBI IDCHEBI:205148
ChEBI NameHeptemerone F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESCC(=O)O[C@H]1C(=O)[C@@]2(O)c3occ4c3[C@@](C)(CCC4=O)CC[C@]2(C)[C@H]1C(C)C
InChIInChI=1S/C22H28O6/c1-11(2)15-17(28-12(3)23)18(25)22(26)19-16-13(10-27-19)14(24)6-7-20(16,4)8-9-21(15,22)5/h10-11,15,17,26H,6-9H2,1-5H3/t15-,17+,20-,21+,22+/m0/s1
InChIKeySSTPXHMFLAIYCK-UTGMBRAWSA-N
Species of MetaboliteComponentSourceComments
Coprinellus heptemerus (ncbitaxon:71708) - PubMed (16156515)
ChEBI Ontology
Outgoing Relation(s)
Heptemerone F (CHEBI:205148) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
[(2S,4R,5R,6R,9R)-2-hydroxy-6,9-dimethyl-3,12-dioxo-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),13-dien-4-yl] acetate
Manual XrefsDatabases
9432757ChemSpider