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abbeymycin
chemical compound
(6S,6aS,8S)-8-hydroxy-6-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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Statements
instance of
type of chemical entity
0 references
subclass of
benzodiazepine alkaloid
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pyrrolobenzodiazepine
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chemical structure
Abbeymycin.svg
495 × 380; 13 KB
0 references
mass
248.116092372
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆N₂O₃
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canonical SMILES
O=C1C=2C=CC=CC2NC(OC)C3N1CC(O)C3
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isomeric SMILES
CO[C@H]1[C@@H]2C[C@@H](CN2C(=O)C3=CC=CC=C3N1)O
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found in taxon
Streptomyces
2 references
stated in
Abbeymycin, a new anthramycin-type antibiotic produced by a streptomycete
stated in
Abbeymycin, a new anthramycin-type antibiotic produced by a streptomycete
Identifiers
InChI
InChI=1S/C13H16N2O3/c1-18-12-11-6-8(16)7-15(11)13(17)9-4-2-3-5-10(9)14-12/h2-5,8,11-12,14,16H,6-7H2,1H3/t8-,11-,12-/m0/s1
0 references
InChIKey
SSMFXCDUJJPFBJ-UWJYBYFXSA-N
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CAS Registry Number
108073-64-9
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PubChem CID
176075
1 reference
matched by identifier from
InChIKey
InChIKey
SSMFXCDUJJPFBJ-UWJYBYFXSA-N
ChEBI ID
222347
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H16N2O3/c1-18-12-11-6-8(16)7-15(11)13(17)9-4-2-3-5-10(9)14-12/h2-5,8,11-12,14,16H,6-7H2,1H3/t8-,11-,12-/m0/s1
UniChem compound ID
32048969
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60148371
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
SSMFXCDUJJPFBJ-UWJYBYFXSA-N
DSSTOX compound identifier
DTXCID5070862
0 references
Natural Product Atlas ID
NPA020829
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SSMFXCDUJJPFBJ-UWJYBYFXSA-N
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