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CHEBI:199864 - Heptemerone C

ChEBI IDCHEBI:199864
ChEBI NameHeptemerone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O6
Net Charge0
Average Mass404.503
Monoisotopic Mass404.21989
SMILESCO[C@H]1C(=O)[C@@]2(O)c3occ4c3[C@@](C)(CC[C@@H]4OC(C)=O)CC[C@]2(C)[C@H]1C(C)C
InChIInChI=1S/C23H32O6/c1-12(2)16-18(27-6)19(25)23(26)20-17-14(11-28-20)15(29-13(3)24)7-8-21(17,4)9-10-22(16,23)5/h11-12,15-16,18,26H,7-10H2,1-6H3/t15-,16-,18+,21-,22+,23+/m0/s1
InChIKeySVOIENAOCYMFDG-UFFKPRAZSA-N
Species of MetaboliteComponentSourceComments
Coprinellus heptemerus (ncbitaxon:71708) - PubMed (16156515)
ChEBI Ontology
Outgoing Relation(s)
Heptemerone C (CHEBI:199864) is a heteroarene (CHEBI:33833)
IUPAC Name 
[(2S,4R,5R,6R,9R,12S)-2-hydroxy-4-methoxy-6,9-dimethyl-3-oxo-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),13-dien-12-yl] acetate
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9525171ChemSpider