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CHEBI:204460 - Neonectriolide C

ChEBI IDCHEBI:204460
ChEBI NameNeonectriolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O8
Net Charge0
Average Mass440.448
Monoisotopic Mass440.14712
SMILESCOc1cc2c3c4c(c(O)cc(C)c14)C(=O)O[C@@H]3[C@@H]1C[C@@H](C)O[C@]1(C[C@@H]1CCC(=O)O1)O2
InChIInChI=1S/C24H24O8/c1-10-6-14(25)19-21-18(10)15(28-3)8-16-20(21)22(30-23(19)27)13-7-11(2)31-24(13,32-16)9-12-4-5-17(26)29-12/h6,8,11-13,22,25H,4-5,7,9H2,1-3H3/t11-,12+,13+,22-,24-/m1/s1
InChIKeyZALCZOUYJXZXGH-OUYFOYAWSA-N
Species of MetaboliteComponentSourceComments
Neonectriaspecies (ncbitaxon:1755434) - PubMed (25978132)
ChEBI Ontology
Outgoing Relation(s)
Neonectriolide C (CHEBI:204460) is a organic heterotricyclic compound (CHEBI:26979)
Neonectriolide C (CHEBI:204460) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2S,4R,6R)-14-hydroxy-10-methoxy-4,12-dimethyl-6-[[(2S)-5-oxooxolan-2-yl]methyl]-5,7,17-trioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-8,10,12,14,18-pentaen-16-one
Manual XrefsDatabases
59000784ChemSpider