CHEBI:168632 - 5,6-Dimethoxysterigmatocystin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5,6-Dimethoxysterigmatocystin
ChEBI ID CHEBI:168632
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H16O8
Net Charge 0
Average Mass 384.340
Monoisotopic Mass 384.08452
InChI InChI=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
InChIKey RSPJLZQIZABVSE-UHFFFAOYSA-N
SMILES O1C2OC=CC2C=3C1=CC(OC)=C4C3OC5=C(C4=O)C(O)=CC(OC)=C5OC
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via sterigmatocystins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
4447461 ChemSpider
HMDB0030592 HMDB
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