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CHEBI:204519 - 5-Ketocoriolin B

ChEBI IDCHEBI:204519
ChEBI Name5-Ketocoriolin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O6
Net Charge0
Average Mass406.519
Monoisotopic Mass406.23554
SMILESCCCCCCCC(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@H](O)[C@@]13O[C@@H]1C(=O)[C@@]1(CO1)[C@@]23C
InChIInChI=1S/C23H34O6/c1-5-6-7-8-9-10-14(24)28-18-15-13(11-20(18,2)3)16(25)23-19(29-23)17(26)22(12-27-22)21(15,23)4/h13,15-16,18-19,25H,5-12H2,1-4H3/t13-,15-,16-,18+,19+,21+,22-,23+/m0/s1
InChIKeyLOIDFPMIJNIDAO-VBWSGNRFSA-N
Species of MetaboliteComponentSourceComments
Coriolus (ncbitaxon:5326) - PubMed (14094)
ChEBI Ontology
Outgoing Relation(s)
5-Ketocoriolin B (CHEBI:204519) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2S,3S,6R,7R,8S,9S,11S)-2-hydroxy-5,5,8-trimethyl-10-oxospiro[12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-9,2'-oxirane]-6-yl] octanoate
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78437151ChemSpider