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CHEBI:169114 - 7alpha,8alpha-Dihydroxycalonectrin

ChEBI IDCHEBI:169114
ChEBI Name7alpha,8alpha-Dihydroxycalonectrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O8
Net Charge0
Average Mass382.409
Monoisotopic Mass382.16277
SMILESCC(=O)OCC12C(C=C(C)C(O)C1O)OC1C(OC(C)=O)CC2(C)C12CO2
InChIInChI=1S/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3
InChIKeyJSKXQQKSUOVSKS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
7alpha,8alpha-Dihydroxycalonectrin (CHEBI:169114) is a trichothecene (CHEBI:55517)
IUPAC Name 
(10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Manual XrefsDatabases
484624ChemSpider
HMDB0038916HMDB