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CHEBI:198087 - Heptemerone E

ChEBI IDCHEBI:198087
ChEBI NameHeptemerone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESCC(C)[C@@H]1[C@H](O)C(=O)[C@]2(O)c3occ4c3[C@](C)(CCC4=O)CC[C@@]12C
InChIInChI=1S/C20H26O5/c1-10(2)13-15(22)16(23)20(24)17-14-11(9-25-17)12(21)5-6-18(14,3)7-8-19(13,20)4/h9-10,13,15,22,24H,5-8H2,1-4H3/t13-,15+,18-,19+,20+/m1/s1
InChIKeyGTMCLZNDMPCRDS-NJVWMADFSA-N
Species of MetaboliteComponentSourceComments
Coprinellus heptemerus (ncbitaxon:71708) - DOI (10.1016/j.tet.2005.07.090)
ChEBI Ontology
Outgoing Relation(s)
Heptemerone E (CHEBI:198087) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(2R,4S,5S,6S,9S)-2,4-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),13-diene-3,12-dione
Manual XrefsDatabases
78436319ChemSpider