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(Q104396238)
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English
8-[(1S,2R)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
290.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
8-[(1R,2S)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₈O₅
0 references
canonical SMILES
O=C1OC2=C(C=C1)C=CC(OC)=C2C(OC)C(O)C(=C)C
0 references
isomeric SMILES
C=C(C)[C@@H](O)[C@@H](OC)c1c(OC)ccc2ccc(=O)oc12
0 references
found in taxon
Murraya paniculata
3 references
stated in
Indole alkaloids and coumarins from the root bark of Murraya paniculata var. Omphalocarpa
stated in
Constituents of Flowers ofMurraya Paniculata
stated in
Coumarins of the flowers of Murraya paniculata
Identifiers
InChI
InChI=1S/C16H18O5/c1-9(2)14(18)16(20-4)13-11(19-3)7-5-10-6-8-12(17)21-15(10)13/h5-8,14,16,18H,1H2,2-4H3/t14-,16+/m1/s1
0 references
InChIKey
DBPWCIPDCMVUFT-ZBFHGGJFSA-N
0 references
PubChem CID
14102500
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DBPWCIPDCMVUFT-ZBFHGGJFSA-N
UniChem compound ID
16409989
1 reference
stated in
UniChem
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