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CHEBI:226784 - Pentahydroxyscirpene

ChEBI IDCHEBI:226784
ChEBI NamePentahydroxyscirpene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O7
Net Charge0
Average Mass314.334
Monoisotopic Mass314.13655
SMILESCC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@@]2(CO)[C@H](O)[C@@H]1O)[C@]31CO1
InChIInChI=1S/C15H22O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7-12,16-20H,4-5H2,1-2H3/t7-,8-,9-,10-,11-,12-,13-,14-,15+/m1/s1
InChIKeyFSRZWENLVSLJGX-WRJVUQEZSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - PubMed (24367932)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Pentahydroxyscirpene (CHEBI:226784) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1S,2R,3S,4R,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3,4,10,11-tetrol
Manual XrefsDatabases
78438355ChemSpider