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CHEBI:214501 - Sterigmatocystin C

ChEBI IDCHEBI:214501
ChEBI NameSterigmatocystin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O7
Net Charge0
Average Mass398.411
Monoisotopic Mass398.13655
SMILESCCCCO[C@@H]1C[C@H]2c3c(cc(OC)c4c(=O)c5c(O)cccc5oc34)O[C@H]2O1
InChIInChI=1S/C22H22O7/c1-3-4-8-26-16-9-11-17-15(28-22(11)29-16)10-14(25-2)19-20(24)18-12(23)6-5-7-13(18)27-21(17)19/h5-7,10-11,16,22-23H,3-4,8-9H2,1-2H3/t11-,16-,22-/m0/s1
InChIKeyRISRFEQFXCHTBG-DOCRCCHOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (32427412)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Sterigmatocystin C (CHEBI:214501) is a sterigmatocystins (CHEBI:26759)
IUPAC Name 
(3S,5S,7S)-5-butoxy-15-hydroxy-11-methoxy-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
85252349ChemSpider