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(Q82996178)
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English
7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl 2-hydroxypropanoate
group of stereoisomers with the chemical formula C₁₈H₂₄O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
368.14711772799996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₄O₈
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=CC2OC3C(OC(=O)C(C)O)CC(C)(C34CO4)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](OC(=O)C(C)O)C[C@@](C)(C34CO4)[C@@]2(CO)[C@H](O)C1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H24O8/c1-8-4-11-17(6-19,13(22)12(8)21)16(3)5-10(25-15(23)9(2)20)14(26-11)18(16)7-24-18/h4,9-11,13-14,19-20,22H,5-7H2,1-3H3/t9?,10-,11-,13-,14-,16-,17-,18?/m1/s1
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InChIKey
OPVZEKDXSPMMNS-GREHRIHWSA-N
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CAS Registry Number
81662-72-8
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PubChem CID
187290
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
51730905
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601002120
0 references
DSSTOX compound identifier
DTXCID401429059
0 references
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