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(Q105158254)
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English
methyl 3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
group of stereoisomers with the chemical formula C₃₇H₃₈N₂O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
beta-carboline alkaloid
1 reference
inferred from
beta-carboline alkaloid
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
702.2424746560004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₇H₃₈N₂O₁₂
0 references
canonical SMILES
O=C(OCC1OC(OC2OC=C(C(=O)OC)C(CC3=NC=CC=4C=5C=CC=CC5NC34)C2C=C)C(O)C(O)C1O)C=CC6=CC=C(O)C(OC)=C6
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Identifiers
InChI
InChI=1S/C37H38N2O12/c1-4-20-23(16-26-31-22(13-14-38-26)21-7-5-6-8-25(21)39-31)24(35(45)47-3)17-49-36(20)51-37-34(44)33(43)32(42)29(50-37)18-48-30(41)12-10-19-9-11-27(40)28(15-19)46-2/h4-15,17,20,23,29,32-34,36-37,39-40,42-44H,1,16,18H2,2-3H3
0 references
InChIKey
LWFNFQXOPUCHCN-UHFFFAOYSA-N
0 references
PubChem CID
162915660
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LWFNFQXOPUCHCN-UHFFFAOYSA-N
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