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(Q105381949)
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English
Gelsemiol 3-glucoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(Hydroxymethyl)-5-methyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
362.157682412
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₆O₉
0 references
canonical SMILES
O=C1OC2CC(C)C(CO)C2C1COC3OC(CO)C(O)C(O)C3O
0 references
isomeric SMILES
C[C@H]1C[C@@H]2OC(=O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@H]1CO
0 references
found in taxon
Gelsemium sempervirens
1 reference
stated in
9-hydroxy substituted iridoids from Gelsemium sempervirens
Verbena brasiliensis
1 reference
stated in
New iridoid glucosides from the aerial parts of Verbena brasiliensis
Identifiers
InChI
InChI=1S/C16H26O9/c1-6-2-9-11(7(6)3-17)8(15(22)24-9)5-23-16-14(21)13(20)12(19)10(4-18)25-16/h6-14,16-21H,2-5H2,1H3/t6-,7+,8-,9-,10+,11-,12+,13-,14+,16+/m0/s1
0 references
InChIKey
ZRGFNHKLBRKEOZ-KEAIEDLDSA-N
0 references
PubChem CID
101098709
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZRGFNHKLBRKEOZ-KEAIEDLDSA-N
UniChem compound ID
96665741
1 reference
stated in
UniChem
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