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CHEBI:181984 - (1S,2S,12S)-3,11-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one

ChEBI IDCHEBI:181984
ChEBI Name(1S,2S,12S)-3,11-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC1=CC2OC3CC(O)[C@](C)([C@@]2(C)C(O)C1=O)[C@]31CO1
InChIInChI=1S/C15H20O5/c1-7-4-9-13(2,12(18)11(7)17)14(3)8(16)5-10(20-9)15(14)6-19-15/h4,8-10,12,16,18H,5-6H2,1-3H3/t8?,9?,10?,12?,13-,14-,15+/m1/s1
InChIKeyRSFFUWNYMOEBFP-VYUPKBRNSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
(1S,2S,12S)-3,11-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one (CHEBI:181984) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1S,2S,12S)-3,11-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
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