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Nectrisine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
131.058243148
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅H₉NO₃
0 references
canonical SMILES
OCC1N=CC(O)C1O
0 references
isomeric SMILES
C1=N[C@@H]([C@H]([C@H]1O)O)CO
0 references
found in taxon
Thelonectria lucida
1 reference
stated in
Structure and synthesis of nectrisine, a new immunomodulator isolated from a fungus
Identifiers
InChI
InChI=1S/C5H9NO3/c7-2-3-5(9)4(8)1-6-3/h1,3-5,7-9H,2H2/t3-,4+,5-/m1/s1
0 references
InChIKey
QUPCOXZVKXONSC-MROZADKFSA-N
0 references
CAS Registry Number
108692-47-3
0 references
PubChem CID
122106
1 reference
matched by identifier from
InChIKey
InChIKey
QUPCOXZVKXONSC-MROZADKFSA-N
ChEBI ID
219637
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C5H9NO3/c7-2-3-5(9)4(8)1-6-3/h1,3-5,7-9H,2H2/t3-,4+,5-/m1/s1
UniChem compound ID
63088654
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80910830
1 reference
matched by identifier from
InChIKey
InChIKey
QUPCOXZVKXONSC-MROZADKFSA-N
DSSTOX compound identifier
DTXCID501339873
0 references
Natural Product Atlas ID
NPA028476
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QUPCOXZVKXONSC-MROZADKFSA-N
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