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(Q105244797)
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English
5,6-Dimethoxysterigmatocystin
group of stereoisomers with the chemical formula C₂₀H₁₆O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
sterigmatocystin-type polyketide
1 reference
inferred from
sterigmatocystin-type polyketide
mass
384.084517472
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₆O₈
0 references
canonical SMILES
O=C1C2=C(O)C=C(OC)C(OC)=C2OC=3C1=C(OC)C=C4OC5OC=CC5C43
0 references
found in taxon
Aspergillus multicolor
1 reference
stated in
5,6-Dimethoxysterigmatocystin and related metabolites from Aspergillus multicolor.
Identifiers
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
0 references
InChIKey
RSPJLZQIZABVSE-UHFFFAOYSA-N
0 references
CAS Registry Number
65176-75-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5284386
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RSPJLZQIZABVSE-UHFFFAOYSA-N
ChEBI ID
168632
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
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
UniChem compound ID
31994776
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0030592
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RSPJLZQIZABVSE-UHFFFAOYSA-N
Natural Product Atlas ID
NPA017907
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RSPJLZQIZABVSE-UHFFFAOYSA-N
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