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(Q105121093)
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English
2,3-Dihydroxy-6-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)benzoic acid
group of stereoisomers with the chemical formula C₁₈H₁₇NO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
isoquinoline alkaloid
1 reference
inferred from
isoquinoline alkaloid
mass
343.1055872639999
dalton
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
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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)
0 references
InChIKey
IVKPCKRCFSDXIE-UHFFFAOYSA-N
0 references
PubChem CID
162975698
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IVKPCKRCFSDXIE-UHFFFAOYSA-N
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