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(Q105229192)
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English
Sinapoyl glucose
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
386.121296904
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂O₁₀
0 references
canonical SMILES
O=C(C=CC=1C=C(OC)C(O)=C(OC)C1)C(=O)C(O)C(O)C(O)C(O)CO
0 references
isomeric SMILES
COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc(OC)c1O
0 references
found in taxon
Adonis aleppica
1 reference
stated in
Phenolic glycosides from Adonis aleppica
Swertia japonica
1 reference
stated in
Phenyl glucosides from a hairy root culture of Swertia japonica
Identifiers
InChI
InChI=1S/C17H22O10/c1-26-11-5-8(6-12(27-2)15(11)23)3-4-9(19)13(21)16(24)17(25)14(22)10(20)7-18/h3-6,10,14,16-18,20,22-25H,7H2,1-2H3/b4-3+/t10-,14-,16+,17+/m1/s1
0 references
InChIKey
QWIIMHNSFMCFHE-IWHNWRMISA-N
0 references
PubChem CID
18335847
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QWIIMHNSFMCFHE-IWHNWRMISA-N
ChEBI ID
176350
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H22O10/c1-26-11-5-8(6-12(27-2)15(11)23)3-4-9(19)13(21)16(24)17(25)14(22)10(20)7-18/h3-6,10,14,16-18,20,22-25H,7H2,1-2H3/b4-3+/t10-,14-,16+,17+/m1/s1
UniChem compound ID
79292906
1 reference
stated in
UniChem
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