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(Q105121091)
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English
2,3-dihydroxy-6-[[(5R)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,3-Dihydroxy-6-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)benzoic acid
1 reference
based on heuristic
inferred from SMILES
mass
343.105587264
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2,3-dihydroxy-6-[[(5S)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₇NO₆
0 references
canonical SMILES
O=C(O)C1=C(O)C(O)=CC=C1CC2NCCC3=CC=4OCOC4C=C32
0 references
isomeric SMILES
O=C(O)c1c(C[C@H]2NCCc3cc4c(cc32)OCO4)ccc(O)c1O
0 references
found in taxon
Corydalis ternata
1 reference
stated in
Benzylisoquinoline alkaloids from the tubers of Corydalis ternata and their cytotoxicity
Identifiers
InChI
InChI=1S/C18H17NO6/c20-13-2-1-10(16(17(13)21)18(22)23)5-12-11-7-15-14(24-8-25-15)6-9(11)3-4-19-12/h1-2,6-7,12,19-21H,3-5,8H2,(H,22,23)/t12-/m1/s1
0 references
InChIKey
IVKPCKRCFSDXIE-GFCCVEGCSA-N
0 references
PubChem CID
162975700
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IVKPCKRCFSDXIE-GFCCVEGCSA-N
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