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CHEBI:201261 - (3S,7R)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14(19),15,17-heptaen-13-one

ChEBI IDCHEBI:201261
ChEBI Name(3S,7R)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14(19),15,17-heptaen-13-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H12O6
Net Charge0
Average Mass324.288
Monoisotopic Mass324.06339
SMILESCOc1cccc2oc3c4c(cc(O)c3c(=O)c12)O[C@H]1OC=C[C@@H]41
InChIInChI=1S/C18H12O6/c1-21-10-3-2-4-11-15(10)16(20)14-9(19)7-12-13(17(14)23-11)8-5-6-22-18(8)24-12/h2-8,18-19H,1H3/t8-,18+/m0/s1
InChIKeyJFHROJUPZOOWGZ-DCXZOGHSSA-N
Species of MetaboliteComponentSourceComments
Aschersonia (ncbitaxon:100986) - DOI (10.1016/j.tet.2012.07.059)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
(3S,7R)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14(19),15,17-heptaen-13-one (CHEBI:201261) is a sterigmatocystins (CHEBI:26759)
IUPAC Name 
(3S,7R)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14(19),15,17-heptaen-13-one
Manual XrefsDatabases
28533872ChemSpider