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(Q105250693)
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English
Carboline metabolite (C26H28N2O10)
group of stereoisomers with the chemical formula C₂₆H₂₈N₂O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
beta-carboline alkaloid
1 reference
inferred from
beta-carboline alkaloid
mass
528.1743950959998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₂₈N₂O₁₀
0 references
canonical SMILES
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3=NC=CC=4C=5C=C(O)C=CC5NC34
0 references
Identifiers
InChI
InChI=1S/C26H28N2O10/c1-2-12-14(8-18-20-13(5-6-27-18)15-7-11(30)3-4-17(15)28-20)16(24(34)35)10-36-25(12)38-26-23(33)22(32)21(31)19(9-29)37-26/h2-7,10,12,14,19,21-23,25-26,28-33H,1,8-9H2,(H,34,35)
0 references
InChIKey
SDJXJLVNEMUOTE-UHFFFAOYSA-N
0 references
PubChem CID
139292061
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
170719273
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR311102
1 reference
InChIKey
SDJXJLVNEMUOTE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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