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CHEBI:168408 - 3'-Hydroxy-T2-triol

ChEBI IDCHEBI:168408
ChEBI Name3'-Hydroxy-T2-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O8
Net Charge0
Average Mass398.452
Monoisotopic Mass398.19407
SMILESCC1=CC2OC3C(O)C(O)C(C)(C2(CO)CC1OC(=O)CC(C)(C)O)C31CO1
InChIInChI=1S/C20H30O8/c1-10-5-12-19(8-21,6-11(10)27-13(22)7-17(2,3)25)18(4)15(24)14(23)16(28-12)20(18)9-26-20/h5,11-12,14-16,21,23-25H,6-9H2,1-4H3
InChIKeyFVUXHXRZJMFQJL-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)
3'-Hydroxy-T2-triol (CHEBI:168408) is a trichothecene (CHEBI:55517)
IUPAC Name 
[10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-hydroxy-3-methylbutanoate
Manual XrefsDatabases
HMDB0034575HMDB
9916282ChemSpider