EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201299 - Oxisterigmatocystin A

ChEBI IDCHEBI:201299
ChEBI NameOxisterigmatocystin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESCOc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C[C@H](OC)O[C@@H]1O4
InChIInChI=1S/C20H18O8/c1-23-10-5-4-9(21)15-17(22)16-11(24-2)7-12-14(19(16)28-18(10)15)8-6-13(25-3)27-20(8)26-12/h4-5,7-8,13,20-21H,6H2,1-3H3/t8-,13+,20-/m0/s1
InChIKeyJOXQRCQSTGKMFA-IBXPANGUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (21119680)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Oxisterigmatocystin A (CHEBI:201299) is a sterigmatocystins (CHEBI:26759)
IUPAC Name 
(3S,5R,7S)-15-hydroxy-5,11,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14,16,18-hexaen-13-one
Manual XrefsDatabases
27025653ChemSpider