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Anthramycin
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
benzodiazepine alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
315.121906024
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
anthramycin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₇N₃O₄
0 references
canonical SMILES
Cc1ccc2c(c1O)NC(O)C1CC(C=CC(N)=O)=CN1C2=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=C(C2=C(C=C1)C(=O)N3C=C(C[C@H]3[C@H](N2)O)/C=C/C(=O)N)O
0 references
Identifiers
InChI
InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15+/m0/s1
0 references
InChIKey
VGQOVCHZGQWAOI-YQRHFANHSA-N
0 references
CAS Registry Number
4803-27-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
12306674
1 reference
matched by identifier from
InChIKey
InChIKey
VGQOVCHZGQWAOI-YQRHFANHSA-N
ChEBI ID
40699
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15+/m0/s1
UniChem compound ID
531567
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801023388
1 reference
matched by identifier from
InChIKey
InChIKey
VGQOVCHZGQWAOI-YQRHFANHSA-N
UNII
0WZD9Y66WN
1 reference
matched by identifier from
InChIKey
InChIKey
VGQOVCHZGQWAOI-YQRHFANHSA-N
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