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(Q7367466)
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English
epimer of rosavin
chemical compound
(2S,3R,4S,5S,6R)-2-[(E)-3-phenylprop-2-enoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
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instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
Rosavin.png
632 × 462; 20 KB
0 references
mass
428.16824709599985
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
rosavin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R,3R,4S,5R,6R)-2-[(E)-3-phenylprop-2-enoxy]-6-[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
1 reference
based on heuristic
inferred from InChI
Cinnamyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₁₀
2 references
imported from Wikimedia project
English Wikipedia
stated in
PubChem
canonical SMILES
C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC=CC3=CC=CC=C3)O)O)O)O)O)O
0 references
isomeric SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC\C=C\C3=CC=CC=C3)O)O)O)O)O)O
1 reference
imported from Wikimedia project
English Wikipedia
Identifiers
InChI
InChI=1S/C20H28O10/c21-12-9-28-19(17(25)14(12)22)29-10-13-15(23)16(24)18(26)20(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-7,12-26H,8-10H2/b7-4+/t12-,13+,14-,15+,16-,17+,18+,19-,20-/m0/s1
1 reference
stated in
PubChem
InChIKey
RINHYCZCUGCZAJ-UHAHJPEESA-N
1 reference
stated in
PubChem
CAS Registry Number
84954-92-7
reason for deprecated rank
applies to other chemical entity
intended subject of deprecated statement
rosavin
1 reference
imported from Wikimedia project
English Wikipedia
ChemSpider ID
7999634
1 reference
imported from Wikimedia project
Spanish Wikipedia
PubChem CID
6440755
2 references
imported from Wikimedia project
English Wikipedia
matched by identifier from
InChIKey
InChIKey
RINHYCZCUGCZAJ-UHAHJPEESA-N
ChEMBL ID
CHEMBL1083511
1 reference
imported from Wikimedia project
English Wikipedia
UniChem compound ID
621965
1 reference
stated in
UniChem
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