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(Q105348331)
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English
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid
group of stereoisomers with the chemical formula C₁₆H₁₇N₃O₂S
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Statements
instance of
group of stereoisomers
0 references
subclass of
beta-carboline alkaloid
1 reference
inferred from
beta-carboline alkaloid
pyrrolidine alkaloid
1 reference
inferred from
pyrrolidine alkaloid
mass
315.104147784
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₇N₃O₂S
0 references
canonical SMILES
O=C(O)C1NC(C=2NC=3C=CC=CC3C2C1)C4C(S)=NCC4
0 references
found in taxon
radish
1 reference
stated in
Isolation and identification of a novel .BETA.-carboline derivative in salted radish roots, Raphanus sativus L.
Identifiers
InChI
InChI=1S/C16H17N3O2S/c20-16(21)12-7-10-8-3-1-2-4-11(8)18-14(10)13(19-12)9-5-6-17-15(9)22/h1-4,9,12-13,18-19H,5-7H2,(H,17,22)(H,20,21)
0 references
InChIKey
YHAYSIGUKKXZJH-UHFFFAOYSA-N
0 references
PubChem CID
3004297
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHAYSIGUKKXZJH-UHFFFAOYSA-N
ChEBI ID
193547
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H17N3O2S/c20-16(21)12-7-10-8-3-1-2-4-11(8)18-14(10)13(19-12)9-5-6-17-15(9)22/h1-4,9,12-13,18-19H,5-7H2,(H,17,22)(H,20,21)
UniChem compound ID
31998660
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034767
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHAYSIGUKKXZJH-UHFFFAOYSA-N
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