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(Q83032870)
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4-Deoxysiastatin B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
202.095356928
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₈H₁₄N₂O₄
0 references
canonical SMILES
CC(=O)NC1NCC(C(=O)O)CC1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)N[C@@H]1[C@H](C[C@H](CN1)C(=O)O)O
0 references
Identifiers
InChI
InChI=1S/C8H14N2O4/c1-4(11)10-7-6(12)2-5(3-9-7)8(13)14/h5-7,9,12H,2-3H2,1H3,(H,10,11)(H,13,14)/t5-,6+,7-/m1/s1
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InChIKey
HSRHUOVPONIGIS-DSYKOEDSSA-N
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CAS Registry Number
148112-84-9
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PubChem CID
127298
0 references
UniChem compound ID
34617633
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00163886
1 reference
matched by identifier from
InChIKey
InChIKey
HSRHUOVPONIGIS-DSYKOEDSSA-N
DSSTOX compound identifier
DTXCID2086377
0 references
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