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(Q105000980)
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English
4-Demethyl-4,5-didehydrohumantenine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-Ethylidene-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodec-4-ene-2,3'-indole]-2'-one
1 reference
based on heuristic
inferred from SMILES
mass
338.163042564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₂N₂O₃
0 references
canonical SMILES
O=C1N(OC)C=2C=CC=CC2C13CC4=NCC(=CC)C5CC3OCC45
0 references
isomeric SMILES
C/C=C1\CN=C2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3
0 references
found in taxon
Gelsemium rankinii
1 reference
stated in
New oxindole and indole alkaloids from Gelsemium rankinii
Identifiers
InChI
InChI=1S/C20H22N2O3/c1-3-12-10-21-16-9-20(18-8-13(12)14(16)11-25-18)15-6-4-5-7-17(15)22(24-2)19(20)23/h3-7,13-14,18H,8-11H2,1-2H3/b12-3+/t13-,14-,18+,20-/m0/s1
0 references
InChIKey
FTCTWKLTCPCHER-KKJGDNTDSA-N
0 references
PubChem CID
102477482
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FTCTWKLTCPCHER-KKJGDNTDSA-N
UniChem compound ID
96754455
1 reference
stated in
UniChem
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