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(Q125030370)
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English
acetylthevetin A
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
pyranocoumarins
1 reference
based on heuristic
inferred from SMILES
mass
350.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
350.11542367600003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₈O₅
0 references
canonical SMILES
O=C1OC=2C=C3OC(C)(C)C(OC(=O)C=4C=CC=CC4)CC3=CC2C=C1
0 references
isomeric SMILES
CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@H]1OC(=O)c1ccccc1
0 references
found in taxon
Eryngium campestre
1 reference
stated in
Coumarin Derivatives from Eryngium campestre1
Identifiers
InChI
InChI=1S/C21H18O5/c1-21(2)18(25-20(23)13-6-4-3-5-7-13)11-15-10-14-8-9-19(22)24-16(14)12-17(15)26-21/h3-10,12,18H,11H2,1-2H3/t18-/m1/s1
0 references
InChIKey
ZNTARXPPDIMRSC-GOSISDBHSA-N
0 references
PubChem CID
162897601
2 references
stated in
PubChem
retrieved
26 April 2024
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZNTARXPPDIMRSC-GOSISDBHSA-N
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