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(Q105324619)
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English
XBOYVXOIENFIKU-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₀H₃₈N₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
berberine alkaloids
1 reference
inferred from
berberine alkaloids
mass
754.237389276
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₀H₃₈N₂O₁₃
0 references
canonical SMILES
O=C1C2=C(OC)C(OC)=CC=C2C(O)(OC3C4=C(OC)C(OC)=CC=C4C(O)C5(O)C6=CC=7OCOC7C=C6CCN35)C8C9=CC=%10OCOC%10C=C9CCN18
0 references
found in taxon
Berberis heteropoda
1 reference
stated in
Berberis alkaloids. XVII. Investigation of the alkaloids of Berberis heteropoda
Identifiers
InChI
InChI=1S/C40H38N2O13/c1-47-25-7-5-21-31(33(25)49-3)38(42-12-10-20-14-28-30(54-18-52-28)16-24(20)39(42,45)36(21)43)55-40(46)23-6-8-26(48-2)34(50-4)32(23)37(44)41-11-9-19-13-27-29(53-17-51-27)15-22(19)35(40)41/h5-8,13-16,35-36,38,43,45-46H,9-12,17-18H2,1-4H3
0 references
InChIKey
XBOYVXOIENFIKU-UHFFFAOYSA-N
0 references
PubChem CID
21627931
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
XBOYVXOIENFIKU-UHFFFAOYSA-N
UniChem compound ID
67386621
1 reference
stated in
UniChem
KNApSAcK ID
C00058379
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XBOYVXOIENFIKU-UHFFFAOYSA-N
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