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(Q105327968)
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Haplopinol methyl ether
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
276.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₆O₅
0 references
canonical SMILES
O=C1OC=2C=C(OCC=C(C)CO)C(OC)=CC2C=C1
0 references
isomeric SMILES
COc1cc2ccc(=O)oc2cc1OC/C=C(\C)CO
1 reference
based on heuristic
inferred from InChI
found in taxon
Pterocaulon polystachyum
2 references
stated in
New coumarins from Pterocaulon polystachyum
stated in
New coumarins from Pterocaulon polystachyum
Identifiers
InChI
InChI=1S/C15H16O5/c1-10(9-16)5-6-19-14-8-12-11(7-13(14)18-2)3-4-15(17)20-12/h3-5,7-8,16H,6,9H2,1-2H3/b10-5+
0 references
InChIKey
XHBFZZFIFOBODD-BJMVGYQFSA-N
0 references
PubChem CID
12920848
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
61850954
1 reference
stated in
UniChem
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