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(Q104947246)
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English
CID 15126296
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Coriandrone B
1 reference
based on heuristic
inferred from SMILES
mass
292.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₀O₅
0 references
canonical SMILES
O=C1OC(C)CC2=CC(OC)=C3C(OC(C)(C)C(O)C3)=C12
0 references
isomeric SMILES
COc1cc2c(c3c1C[C@@H](O)C(C)(C)O3)C(=O)O[C@@H](C)C2
0 references
found in taxon
Coriandrum sativum
2 references
stated in
Isocoumarins from Coriandrum sativum
stated in
Three isocoumarins from Coriandrum sativum
Identifiers
InChI
InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(17)16(2,3)21-14(10)13(9)15(18)20-8/h6,8,12,17H,5,7H2,1-4H3/t8-,12+/m0/s1
0 references
InChIKey
BWHXOOBBSCGLBC-QPUJVOFHSA-N
0 references
CAS Registry Number
139906-04-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
15126296
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97382988
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901317708
1 reference
matched by identifier from
InChIKey
InChIKey
BWHXOOBBSCGLBC-QPUJVOFHSA-N
KNApSAcK ID
C00054154
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BWHXOOBBSCGLBC-QPUJVOFHSA-N
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