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(Q105166352)
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English
MKZMNXURTPRMLM-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(OC3C4=C(OC)C(OC)=CC=C4C(O)C5(O)C6=CC=7OCOC7C=C6CCN35)C8(O)C9=CC=%10OCOC%10C=C9CCN18
0 references
found in taxon
Berberis heteropoda
1 reference
stated in
Berberis alkaloids. XVI. Structure of berpodine
Identifiers
InChI
InChI=1S/C40H38N2O13/c1-47-25-8-6-22-31(33(25)49-3)37(44)41-11-9-20-14-28-30(54-18-52-28)16-24(20)40(41,46)36(22)55-38-32-21(5-7-26(48-2)34(32)50-4)35(43)39(45)23-15-29-27(51-17-53-29)13-19(23)10-12-42(38)39/h5-8,13-16,35-36,38,43,45-46H,9-12,17-18H2,1-4H3
0 references
InChIKey
MKZMNXURTPRMLM-UHFFFAOYSA-N
0 references
PubChem CID
163192687
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
MKZMNXURTPRMLM-UHFFFAOYSA-N
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