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(Q83012915)
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English
Demethoxy-3-epifumitremorgin C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
349.179026976
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
demethoxyfumitremorgin C
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₃N₃O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)=CC1c2[nH]c3ccccc3c2CC2C(=O)N3CCCC3C(=O)N21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)=C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3/t16-,17+,18-/m0/s1
0 references
InChIKey
LQXCSIKDOISJTI-KSZLIROESA-N
0 references
CAS Registry Number
106292-68-6
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DSSTox substance ID
DTXSID60147566
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DSSTOX compound identifier
DTXCID2070057
0 references
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