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(Q82874128)
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English
3,7,15-Trihydroxytrichothec-9-en-8-one
group of stereoisomers with the chemical formula C₁₅H₂₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
282.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=CC2OC3C(O)CC(C)(C3C)C2(CO)C(O)C1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@@H]3C)[C@@]2(CO)C(O)C1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H22O5/c1-7-4-10-15(6-16,13(19)11(7)18)14(3)5-9(17)12(20-10)8(14)2/h4,8-10,12-13,16-17,19H,5-6H2,1-3H3/t8-,9-,10-,12+,13?,14+,15-/m1/s1
0 references
InChIKey
WOAAVQMLHJSDCT-GFMIXFBSSA-N
0 references
CAS Registry Number
100596-40-5
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PubChem CID
180892
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
48849445
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70905614
0 references
DSSTOX compound identifier
DTXCID201334717
0 references
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