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(Q105177629)
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English
NDMPLJNOPCLANR-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₄H₅₆N₄O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
aspidospermine / aspidofractine / kopsane alkaloid
1 reference
inferred from
aspidospermine / aspidofractine / kopsane alkaloid
mass
768.4098147520001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₄H₅₆N₄O₈
0 references
canonical SMILES
O=C(OC)C1(O)C(O)C2(C=CCN3CCC4(C5=CC(=C(OC)C=C5N(C)C14)C6(C(=O)OC)C=7NC=8C=CC=CC8C7CCN9CC(CC(O)(C9)CC)C6)C32)CC
0 references
Identifiers
InChI
InChI=1S/C44H56N4O8/c1-7-40(52)22-26-23-43(38(50)55-5,34-28(14-18-47(24-26)25-40)27-12-9-10-13-31(27)45-34)30-20-29-32(21-33(30)54-4)46(3)36-42(29)16-19-48-17-11-15-41(8-2,35(42)48)37(49)44(36,53)39(51)56-6/h9-13,15,20-21,26,35-37,45,49,52-53H,7-8,14,16-19,22-25H2,1-6H3
0 references
InChIKey
NDMPLJNOPCLANR-UHFFFAOYSA-N
0 references
PubChem CID
15575610
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
NDMPLJNOPCLANR-UHFFFAOYSA-N
UniChem compound ID
48716341
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0250907
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NDMPLJNOPCLANR-UHFFFAOYSA-N
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