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(Q104988179)
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English
Robutaside A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
coumaroyl(-6)Glc-O-Ph(4-OH)
1 reference
based on heuristic
inferred from SMILES
[3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
418.126382284
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₂O₉
0 references
canonical SMILES
O=C(OCC1OC(OC2=CC=C(O)C=C2)C(O)C(O)C1O)C=CC3=CC=C(O)C=C3
0 references
isomeric SMILES
O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
0 references
found in taxon
Breynia officinalis
1 reference
stated in
Terpenic and phenolic glycosides from leaves of Breynia officinalis HEMSL.
Grevillea robusta
1 reference
stated in
Phenolic constituents from Grevillea robusta
Vaccinium arctostaphylos
1 reference
stated in
Phenolic compounds of the leaves of Vaccinium arctostaphylos
Viburnum wrightii
1 reference
stated in
Studies on the Constituents of Viburnum Species. On Phenolic Glycosides from the Leaves of Viburnum wrightii MIQ.
Breynia vitis-idaea
1 reference
stated in
Terpenic and phenolic glycosides from leaves of Breynia officinalis HEMSL.
Identifiers
InChI
InChI=1S/C21H22O9/c22-13-4-1-12(2-5-13)3-10-17(24)28-11-16-18(25)19(26)20(27)21(30-16)29-15-8-6-14(23)7-9-15/h1-10,16,18-23,25-27H,11H2/b10-3+/t16-,18-,19+,20-,21-/m1/s1
0 references
InChIKey
DTBYJDROKVCOQC-CEKNMCGLSA-N
0 references
PubChem CID
26263971
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
14790707
1 reference
stated in
UniChem
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