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CHEBI:169090 - 15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside

ChEBI IDCHEBI:169090
ChEBI Name15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O11
Net Charge0
Average Mass486.514
Monoisotopic Mass486.21011
SMILESCC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC3OC(CO)C(O)C(O)C3O)C2(C)C12CO2
InChIInChI=1S/C23H34O11/c1-10-4-5-22(8-30-11(2)25)13(6-10)33-19-17(29)18(21(22,3)23(19)9-31-23)34-20-16(28)15(27)14(26)12(7-24)32-20/h6,12-20,24,26-29H,4-5,7-9H2,1-3H3
InChIKeyHUIYHYRPRGTYKA-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)
15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside (CHEBI:169090) is a trichothecene (CHEBI:55517)
IUPAC Name 
[10-hydroxy-1,5-dimethyl-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Manual XrefsDatabases
HMDB0035590HMDB