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(Q82894635)
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Lentinellic acid
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
316.13107374000003
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₂₀O₅
0 references
canonical SMILES
O=C(O)C1=CC2=C3C(=O)CC3(C)C4CC(C)(C)CC4C2OC1=O
0 references
isomeric SMILES
CC1(C)CC2C3OC(=O)C(C(=O)O)=CC3=C3C(=O)C[C@]3(C)[C@H]2C1
0 references
Identifiers
InChI
InChI=1S/C18H20O5/c1-17(2)5-10-11(6-17)18(3)7-12(19)13(18)8-4-9(15(20)21)16(22)23-14(8)10/h4,10-11,14H,5-7H2,1-3H3,(H,20,21)/t10?,11-,14?,18+/m0/s1
0 references
InChIKey
JMNIXMWRRYDXON-USFPHPMWSA-N
0 references
CAS Registry Number
115219-90-4
0 references
PubChem CID
196713
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
JMNIXMWRRYDXON-USFPHPMWSA-N
UniChem compound ID
53267149
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00921660
1 reference
matched by identifier from
InChIKey
InChIKey
JMNIXMWRRYDXON-USFPHPMWSA-N
DSSTOX compound identifier
DTXCID701350550
0 references
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