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English
pironetin
anti-cancer natural product; polyketide
(2R,3R)-3-ethyl-2-[(E,2R,3S,4R,5S)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-enyl]-2,3-dihydropyran-6-one
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Statements
instance of
type of chemical entity
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subclass of
polyketide
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chemical structure
Pironetin.png
559 × 221; 10 KB
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mass
324.230059504
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₃₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC=CCC(C)C(OC)C(C)C(O)CC1OC(=O)C=CC1CC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)C=C[C@H]1CC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1/C19H32O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,10-11,13-17,19-20H,7,9,12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/s1
0 references
InChIKey
XIHGDBYGUWEHCV-FSEPSNHWNA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
151519-02-7
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