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CHEBI:168632 - 5,6-Dimethoxysterigmatocystin

ChEBI IDCHEBI:168632
ChEBI Name5,6-Dimethoxysterigmatocystin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O8
Net Charge0
Average Mass384.340
Monoisotopic Mass384.08452
SMILESCOc1cc(O)c2c(=O)c3c(OC)cc4c(c3oc2c1OC)C1C=COC1O4
InChIInChI=1S/C20H16O8/c1-23-10-7-11-13(8-4-5-26-20(8)27-11)18-15(10)16(22)14-9(21)6-12(24-2)17(25-3)19(14)28-18/h4-8,20-21H,1-3H3
InChIKeyRSPJLZQIZABVSE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
5,6-Dimethoxysterigmatocystin (CHEBI:168632) is a sterigmatocystins (CHEBI:26759)
IUPAC Name 
15-hydroxy-11,17,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14(19),15,17-heptaen-13-one
Manual XrefsDatabases
4447461ChemSpider
HMDB0030592HMDB