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(Q105147300)
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English
Phebaclavin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
304.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₆O₆
0 references
canonical SMILES
O=C1OC=2C(O)=C(OC)C=CC2C=C1CC=C(C(=O)OC)C
0 references
isomeric SMILES
COC(=O)/C(C)=C/Cc1cc2ccc(OC)c(O)c2oc1=O
1 reference
based on heuristic
inferred from InChI
found in taxon
Phebalium clavatum
3 references
stated in
Eight new prenylcoumarins from Phebalium clavatum
stated in
Eight new prenylcoumarins from Phebalium clavatum
stated in
Eight new prenylcoumarins from Phebalium clavatum
Identifiers
InChI
InChI=1S/C16H16O6/c1-9(15(18)21-3)4-5-11-8-10-6-7-12(20-2)13(17)14(10)22-16(11)19/h4,6-8,17H,5H2,1-3H3/b9-4+
0 references
InChIKey
KXEJCMRLSGMAAK-RUDMXATFSA-N
0 references
PubChem CID
11109471
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KXEJCMRLSGMAAK-RUDMXATFSA-N
UniChem compound ID
34164026
1 reference
stated in
UniChem
NMRShiftDB structure ID
20147305
1 reference
matched by identifier from
InChIKey
InChIKey
KXEJCMRLSGMAAK-RUDMXATFSA-N
KNApSAcK ID
C00045362
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KXEJCMRLSGMAAK-RUDMXATFSA-N
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