EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:174839 - 3,7,8,15-Scirpenetetrol

ChEBI IDCHEBI:174839
ChEBI Name3,7,8,15-Scirpenetetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O6
Net Charge0
Average Mass298.335
Monoisotopic Mass298.14164
SMILESCC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1O
InChIInChI=1S/C15H22O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3
InChIKeyQNKGXSIDHDDDHD-UHFFFAOYSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
3,7,8,15-Scirpenetetrol (CHEBI:174839) is a trichothecene (CHEBI:55517)
IUPAC Name 
2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3,4,10-triol
Manual XrefsDatabases
HMDB0037560HMDB
35014432ChemSpider