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(Q105142784)
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English
Isoangoroside C
group of stereoisomers with the chemical formula C₃₆H₄₈O₁₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
784.278979316
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₆H₄₈O₁₉
0 references
canonical SMILES
O=C(OC1C(OC(OCCC2=CC=C(OC)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)COC4OCC(O)C(O)C4O)C=CC5=CC=C(O)C(OC)=C5
0 references
found in taxon
Scrophularia buergeriana
2 references
stated in
Acylated iridoid and phenylethanoid glycosides from the aerial parts of Scrophularia nodosa
stated in
Phenylpropanoid glycosides from Scrophularia ningpoensis
Scrophularia lepidota
2 references
stated in
Acylated iridoid and phenylethanoid glycosides from the aerial parts of Scrophularia nodosa
stated in
Phenylpropanoid glycosides from Scrophularia ningpoensis
Scrophularia nodosa
1 reference
stated in
Phenylpropanoid glycosides from Scrophularia ningpoensis
Scrophularia ningpoensis
2 references
stated in
Acylated iridoid and phenylethanoid glycosides from the aerial parts of Scrophularia nodosa
stated in
Structural characterization and identification of major constituents in radix scrophulariae by HPLC coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry
Identifiers
InChI
InChI=1S/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-22(47-2)20(38)12-18)53-24(15-51-34-29(44)27(42)21(39)14-50-34)32(33)54-25(40)9-6-17-4-7-19(37)23(13-17)48-3/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3
0 references
InChIKey
KLQXMRBGMLHBBQ-UHFFFAOYSA-N
0 references
PubChem CID
71433809
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KLQXMRBGMLHBBQ-UHFFFAOYSA-N
UniChem compound ID
42663634
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0248432
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KLQXMRBGMLHBBQ-UHFFFAOYSA-N
Probes And Drugs ID
PD065147
0 references
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