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(Q82919663)
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Acetylaranotin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic 2,5-diketopiperazine
0 references
mass
504.0661076
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₀N₂O₈S₂
0 references
canonical SMILES
O=C(OC1C=COC=C2CC34SSC5(C(=O)N3C21)N(C4=O)C6C(=COC=CC6OC(=O)C)C5)C
0 references
found in taxon
Aspergillus terreus
2 references
stated in
Isolation of acetylaranotin, bisdethiodi(methylthio)acetylaranotin and terrein as plant growth inhibitors from a strain of Aspergillus terreus.
stated in
Biosynthetic pathway for the epipolythiodioxopiperazine acetylaranotin in Aspergillus terreus revealed by genome-based deletion analysis
Identifiers
InChI
InChI=1S/C22H20N2O8S2/c1-11(25)31-15-3-5-29-9-13-7-21-20(28)24-18-14(10-30-6-4-16(18)32-12(2)26)8-22(24,34-33-21)19(27)23(21)17(13)15/h3-6,9-10,15-18H,7-8H2,1-2H3
0 references
InChIKey
OHTZNUUGYPDWEB-UHFFFAOYSA-N
0 references
CAS Registry Number
20485-01-2
0 references
PubChem CID
161315
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OHTZNUUGYPDWEB-UHFFFAOYSA-N
ChEBI ID
219971
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H20N2O8S2/c1-11(25)31-15-3-5-29-9-13-7-21-20(28)24-18-14(10-30-6-4-16(18)32-12(2)26)8-22(24,34-33-21)19(27)23(21)17(13)15/h3-6,9-10,15-18H,7-8H2,1-2H3
UniChem compound ID
32028503
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00942658
1 reference
matched by identifier from
InChIKey
InChIKey
OHTZNUUGYPDWEB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID901371051
0 references
Natural Product Atlas ID
NPA020387
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OHTZNUUGYPDWEB-UHFFFAOYSA-N
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