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(Q76155959)
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8,9-Didehydro-7-hydroxydolichodial
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-Cyclopentene-1-acetaldehyde, 2-formyl-4-hydroxy-3-methyl-alpha-methylene-, (1R-trans)-
1 reference
based on heuristic
inferred from SMILES
mass
180.078644244
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₂O₃
0 references
canonical SMILES
O=CC(=C)C1C(C=O)=C(C)C(O)C1
0 references
isomeric SMILES
CC1=C([C@H](C[C@@H]1O)C(=C)C=O)C=O
0 references
found in taxon
Centranthus ruber
1 reference
stated in
Valepotriat-Artefakte aus Centranthus ruber (L.) DC
Identifiers
InChI
InChI=1S/C10H12O3/c1-6(4-11)8-3-10(13)7(2)9(8)5-12/h4-5,8,10,13H,1,3H2,2H3/t8-,10+/m1/s1
0 references
InChIKey
HPPDWCXQOXACSB-SCZZXKLOSA-N
0 references
CAS Registry Number
97856-19-4
0 references
PubChem CID
3062370
0 references
UniChem compound ID
61892554
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20243290
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID20165781
0 references
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