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(Q105312867)
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English
(3S,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
1 reference
based on heuristic
inferred from SMILES
mass
310.126382284
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₂O₉
0 references
canonical SMILES
O=CCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C
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isomeric SMILES
C[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CC=O
0 references
found in taxon
Digitalis grandiflora
1 reference
stated in
Die Glykoside der Blätter von Digitalis grandifloraMill. (= Digitalis ambiguaMurr.) Glykoside und Aglykone, 176. Mitteilung
Digitalis lanata
2 references
stated in
Über die Glukoside von Digitalis lanata Ehrh
stated in
Die genuinen Glycoside der Digitalis lanata, die Digilanide A, B und C
Digitalis purpurea
2 references
stated in
A Component of Digitalis purpurea L. Seeds
stated in
Genuine Glucoside der Digitalis purpurea, die Purpureaglucoside A und B. (9. Mitteilung über Herzglucoside)
Identifiers
InChI
InChI=1S/C12H22O9/c1-5(15)11(6(16)2-3-13)21-12-10(19)9(18)8(17)7(4-14)20-12/h3,5-12,14-19H,2,4H2,1H3/t5-,6+,7-,8-,9+,10-,11+,12+/m1/s1
0 references
InChIKey
WTYMEKOAVKHRJF-DRELSCCUSA-N
0 references
PubChem CID
163027238
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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