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(Q82980602)
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Agropine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
292.12705098
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₂₀N₂O₇
0 references
canonical SMILES
O=C(N)CCC1NCC(OC1=O)C(O)C(O)C(O)CO
0 references
isomeric SMILES
C1[C@@H](OC(=O)[C@@H](N1)CCC(=O)N)[C@H]([C@@H]([C@@H](CO)O)O)O
0 references
found in taxon
Salvia miltiorrhiza
1 reference
stated in
Diterpenoid production in hairy root cultures of Salvia miltiorrhiza
Identifiers
InChI
InChI=1S/C11H20N2O7/c12-8(16)2-1-5-11(19)20-7(3-13-5)10(18)9(17)6(15)4-14/h5-7,9-10,13-15,17-18H,1-4H2,(H2,12,16)/t5-,6+,7+,9+,10+/m0/s1
0 references
InChIKey
HCWLJSDMOMMDRF-SZWOQXJISA-N
0 references
CAS Registry Number
70699-77-3
0 references
PubChem CID
121936
1 reference
matched by identifier from
InChIKey
InChIKey
HCWLJSDMOMMDRF-SZWOQXJISA-N
UniChem compound ID
43134088
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70990949
1 reference
matched by identifier from
InChIKey
InChIKey
HCWLJSDMOMMDRF-SZWOQXJISA-N
DSSTOX compound identifier
DTXCID101418037
0 references
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