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(Q105282666)
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English
(2Z,4E,6S,7S)-6,7-dihydroxy-7-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]-2-[(E)-prop-1-enyl]hepta-2,4-dienal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6,7-Dihydroxy-7-[3-(hydroxymethyl)oxiran-2-yl]-2-prop-1-enylhepta-2,4-dienal
1 reference
based on heuristic
inferred from SMILES
6,7-Dihydroxy-7-[3-(hydroxymethyl)oxiranyl]-2-(1-propenyl)-2,4-heptadienal
1 reference
based on heuristic
inferred from SMILES
mass
254.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈O₅
0 references
canonical SMILES
O=CC(=CC=CC(O)C(O)C1OC1CO)C=CC
0 references
isomeric SMILES
C/C=C/C(C=O)=C/C=C/[C@H](O)[C@H](O)[C@@H]1O[C@@H]1CO
0 references
found in taxon
Menisporopsis theobromae
1 reference
stated in
Bioactive compounds from the seed fungus Menisporopsis theobromae BCC 3975.
Identifiers
InChI
InChI=1S/C13H18O5/c1-2-4-9(7-14)5-3-6-10(16)12(17)13-11(8-15)18-13/h2-7,10-13,15-17H,8H2,1H3/b4-2+,6-3+,9-5-/t10-,11+,12-,13+/m0/s1
0 references
InChIKey
VAEGPTFYQCVMTP-DCAOZVOOSA-N
0 references
PubChem CID
162889820
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VAEGPTFYQCVMTP-DCAOZVOOSA-N
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