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(Q104917994)
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Semilepidinoside B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
1 reference
based on heuristic
inferred from SMILES
mass
366.142701044
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₂N₂O₇
0 references
canonical SMILES
OCC1OC(OC2=CC=C(C=C2OC)CC3=NC=CN3)C(O)C(O)C1O
0 references
isomeric SMILES
COc1cc(Cc2ncc[nH]2)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
0 references
found in taxon
garden cress
1 reference
stated in
Seven imidazole alkaloids from Lepidium sativum
Identifiers
InChI
InChI=1S/C17H22N2O7/c1-24-11-6-9(7-13-18-4-5-19-13)2-3-10(11)25-17-16(23)15(22)14(21)12(8-20)26-17/h2-6,12,14-17,20-23H,7-8H2,1H3,(H,18,19)/t12-,14+,15+,16-,17-/m1/s1
0 references
InChIKey
ASPNXCICLVYQCJ-UVLCOCDESA-N
0 references
PubChem CID
100927770
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ASPNXCICLVYQCJ-UVLCOCDESA-N
ChEBI ID
175697
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H22N2O7/c1-24-11-6-9(7-13-18-4-5-19-13)2-3-10(11)25-17-16(23)15(22)14(21)12(8-20)26-17/h2-6,12,14-17,20-23H,7-8H2,1H3,(H,18,19)/t12-,14+,15+,16-,17-/m1/s1
UniChem compound ID
96843681
1 reference
stated in
UniChem
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