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English
Mollipilin B
chemical compound
(2Z,4E)-2-[(1S)-1-hydroxy-4-[(2R)-oxiran-2-yl]-2-oxobutyl]hepta-2,4-dienal
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic epoxide
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chemical structure
Mollipilin B.svg
198 × 130; 11 KB
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mass
238.120509056
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₁₈O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC=CC=C(C=O)C(O)C(=O)CCC1CO1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC/C=C/C=C(\C=O)[C@H](O)C(=O)CC[C@@H]1CO1
1 reference
based on heuristic
inferred from InChI
found in taxon
Chaetomium mollipilium
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described by source
Structural Diversity of New C13-Polyketides Produced by Chaetomium mollipilium Cultivated in the Presence of a NAD+-Dependent Histone Deacetylase Inhibitor
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Identifiers
InChI
InChI=1S/C13H18O4/c1-2-3-4-5-10(8-14)13(16)12(15)7-6-11-9-17-11/h3-5,8,11,13,16H,2,6-7,9H2,1H3/b4-3+,10-5+/t11-,13+/m1/s1
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InChIKey
XAHQWLXTXXPQJP-JTISVNGCSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
1403982-81-9
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Reaxys registry number
23110320
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