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(Q104246469)
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English
Dysideaproline B
group of stereoisomers with the chemical formula C₂₀H₂₉Cl₄N₃O₂S
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Statements
instance of
group of stereoisomers
0 references
subclass of
thiazole alkaloid
1 reference
inferred from
thiazole alkaloid
mass
515.073458888
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₉Cl₄N₃O₂S
0 references
canonical SMILES
O=C(N(C)C(C(=O)N1CC(C)CC1C2=NC=CS2)CC(C)C(Cl)Cl)CC(C)C(Cl)Cl
0 references
found in taxon
Dysidea
1 reference
stated in
Dysideaprolines A-F and barbaleucamides A-B, novel polychlorinated compounds from a Dysidea species
Identifiers
InChI
InChI=1S/C20H29Cl4N3O2S/c1-11-7-14(19-25-5-6-30-19)27(10-11)20(29)15(8-12(2)17(21)22)26(4)16(28)9-13(3)18(23)24/h5-6,11-15,17-18H,7-10H2,1-4H3
0 references
InChIKey
HDSPSTLDRVPLIV-UHFFFAOYSA-N
0 references
PubChem CID
10874983
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
213022
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H29Cl4N3O2S/c1-11-7-14(19-25-5-6-30-19)27(10-11)20(29)15(8-12(2)17(21)22)26(4)16(28)9-13(3)18(23)24/h5-6,11-15,17-18H,7-10H2,1-4H3
UniChem compound ID
33877024
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA027335
1 reference
based on heuristic
inferred from InChIKey
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