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Tonkinelin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(15,16-dihydroxydotriacontyl)-2-methyl-2H-furan-5-one
1 reference
based on heuristic
inferred from SMILES
mass
578.52741072
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S)-4-[(15R,16S)-15,16-dihydroxydotriacontyl]-2-methyl-2H-furan-5-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₇H₇₀O₄
0 references
canonical SMILES
O=C1OC(C=C1CCCCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCCCCCC)C
0 references
isomeric SMILES
CCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCC1=C[C@@H](OC1=O)C)O)O
0 references
found in taxon
Uvaria tonkinensis
1 reference
stated in
Tonkinelin: a novel annonaceous acetogenin from Uvaria tonkinensis
Identifiers
InChI
InChI=1S/C37H70O4/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35(38)36(39)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)41-37(34)40/h32-33,35-36,38-39H,3-31H2,1-2H3/t33-,35+,36+/m0/s1
0 references
InChIKey
MECGDTAEMVIQNQ-DFOKCWARSA-N
0 references
CAS Registry Number
188295-46-7
0 references
PubChem CID
3083512
0 references
UniChem compound ID
467991
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60172176
1 reference
matched by identifier from
InChIKey
InChIKey
MECGDTAEMVIQNQ-DFOKCWARSA-N
DSSTOX compound identifier
DTXCID4094667
0 references
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