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(Q110185791)
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English
Peucedanocoumarin I
group of stereoisomers with the chemical formula C₂₁H₂₄O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
388.152203108
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₄O₇
0 references
canonical SMILES
O=C1OC2=C(C=C1)C=CC=3OC(C)(C)C(OC(=O)C(C)CC)C(OC(=O)C)C32
0 references
isomeric SMILES
CCC(C)C(=O)O[C@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
0 references
found in taxon
Kitagawia praeruptora
1 reference
stated in
Coumarins from Peucedanum praeruptorum
Identifiers
InChI
InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11?,18-,19+/m1/s1
0 references
InChIKey
GVBNSPFBYXGREE-VEQZCADJSA-N
0 references
PubChem CID
12314635
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GVBNSPFBYXGREE-VEQZCADJSA-N
UniChem compound ID
110962859
1 reference
stated in
UniChem
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