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CHEBI:209721 - Cytosporin N

ChEBI IDCHEBI:209721
ChEBI NameCytosporin N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCCC1=C(C=CCCCC(C)=O)[C@H](O)[C@H]2O[C@]23C[C@@H](O)C(C)(C)O[C@H]13
InChIInChI=1S/C20H30O5/c1-5-13-14(10-8-6-7-9-12(2)21)16(23)18-20(25-18)11-15(22)19(3,4)24-17(13)20/h8,10,15-18,22-23H,5-7,9,11H2,1-4H3/t15-,16+,17-,18-,20+/m1/s1
InChIKeyWTSHULBYFBRCMQ-LYYGHALDSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (31033302)
ChEBI Ontology
Outgoing Relation(s)
Cytosporin N (CHEBI:209721) is a oxanes (CHEBI:46942)
IUPAC Name 
7-[(1aR,2S,4aR,7R,8aS)-4-ethyl-2,7-dihydroxy-6,6-dimethyl-2,4a,7,8-tetrahydro-1aH-oxireno[2,3-e]chromen-3-yl]hept-6-en-2-one