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CHEBI:212712 - Isariotin K

ChEBI IDCHEBI:212712
ChEBI NameIsariotin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27NO5
Net Charge0
Average Mass349.427
Monoisotopic Mass349.18892
SMILESCCCCCCC/C=C/C(=O)N[C@H]1C[C@@]2(O[C@H]1O)C(=O)C=C[C@@H]1O[C@@H]12
InChIInChI=1S/C19H27NO5/c1-2-3-4-5-6-7-8-9-16(22)20-13-12-19(25-18(13)23)15(21)11-10-14-17(19)24-14/h8-11,13-14,17-18,23H,2-7,12H2,1H3,(H,20,22)/b9-8+/t13-,14-,17-,18+,19+/m0/s1
InChIKeyUPQMGPGUBWPRQV-ZGHCVQBBSA-N
Species of MetaboliteComponentSourceComments
Gibellula formosana (ncbitaxon:219212) - DOI (10.1016/j.tet.2012.05.020)
ChEBI Ontology
Outgoing Relation(s)
Isariotin K (CHEBI:212712) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(E)-N-[(1S,2'R,3'S,5S,6S)-2'-hydroxy-4-oxospiro[7-oxabicyclo[4.1.0]hept-2-ene-5,5'-oxolane]-3'-yl]dec-2-enamide
Manual XrefsDatabases
78438013ChemSpider