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(Q83039705)
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English
Tonkinecin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
608.501589896
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₇H₆₈O₆
0 references
canonical SMILES
O=C1OC(C=C1CCC(O)CCCCCCCCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C
0 references
isomeric SMILES
CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCC[C@@H](CCC2=C[C@@H](OC2=O)C)O)O)O
0 references
found in taxon
Uvaria tonkinensis
1 reference
stated in
Tonkinecin, a novel bioactive annonaceous acetogenin from Uvaria tonkinesis
Identifiers
InChI
InChI=1S/C37H68O6/c1-3-4-5-6-7-8-11-14-17-20-23-33(39)35-27-28-36(43-35)34(40)24-21-18-15-12-9-10-13-16-19-22-32(38)26-25-31-29-30(2)42-37(31)41/h29-30,32-36,38-40H,3-28H2,1-2H3/t30-,32-,33+,34+,35+,36+/m0/s1
0 references
InChIKey
BJNHGCXQPCYJLU-CXPQHEJVSA-N
0 references
CAS Registry Number
174819-52-4
0 references
PubChem CID
177289
1 reference
matched by identifier from
InChIKey
InChIKey
BJNHGCXQPCYJLU-CXPQHEJVSA-N
UniChem compound ID
51932
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60169905
1 reference
matched by identifier from
InChIKey
InChIKey
BJNHGCXQPCYJLU-CXPQHEJVSA-N
DSSTOX compound identifier
DTXCID8092396
0 references
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