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CHEBI:203628 - Heptemerone D

ChEBI IDCHEBI:203628
ChEBI NameHeptemerone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O7
Net Charge0
Average Mass432.513
Monoisotopic Mass432.21480
SMILESCC(=O)O[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@@H](C(C)C)[C@@H](OC(C)=O)C(=O)[C@@]3(O)c3occ1c32
InChIInChI=1S/C24H32O7/c1-12(2)17-19(31-14(4)26)20(27)24(28)21-18-15(11-29-21)16(30-13(3)25)7-8-22(18,5)9-10-23(17,24)6/h11-12,16-17,19,28H,7-10H2,1-6H3/t16-,17-,19+,22-,23+,24+/m0/s1
InChIKeyZIKZQHFSXRIGND-ADRHIFFHSA-N
Species of MetaboliteComponentSourceComments
Coprinellus heptemerus (ncbitaxon:71708) - PubMed (16156515)
ChEBI Ontology
Outgoing Relation(s)
Heptemerone D (CHEBI:203628) is a carboxylic ester (CHEBI:33308)
Heptemerone D (CHEBI:203628) is a ketone (CHEBI:17087)
IUPAC Name 
[(2S,4R,5R,6R,9R,12S)-4-acetyloxy-2-hydroxy-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
Manual XrefsDatabases
9341460ChemSpider