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(Q104944630)
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English
(3R)-6,8-dihydroxy-3-[(10S)-10-methoxyundecyl]-3,4-dihydroisochromen-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6,8-Dihydroxy-3-(10-methoxyundecyl)-3,4-dihydroisochromen-1-one
1 reference
based on heuristic
inferred from SMILES
mass
364.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₂O₅
0 references
canonical SMILES
O=C1OC(CC=2C=C(O)C=C(O)C12)CCCCCCCCCC(OC)C
0 references
isomeric SMILES
CO[C@@H](C)CCCCCCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1
0 references
found in taxon
Ononis pubescens
1 reference
stated in
Alkylresorcinols and isocoumarins from Ononis pubescens
Identifiers
InChI
InChI=1S/C21H32O5/c1-15(25-2)10-8-6-4-3-5-7-9-11-18-13-16-12-17(22)14-19(23)20(16)21(24)26-18/h12,14-15,18,22-23H,3-11,13H2,1-2H3/t15-,18+/m0/s1
0 references
InChIKey
BQXYXRGHAYTBOA-MAUKXSAKSA-N
0 references
PubChem CID
162971043
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BQXYXRGHAYTBOA-MAUKXSAKSA-N
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