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(Q105219738)
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English
Kaempferol 3-gentiobioside-7-rhamnoside
group of stereoisomers with the chemical formula C₃₃H₄₀O₂₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
flavone
1 reference
inferred from
flavone
mass
756.21129368
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₃H₄₀O₂₀
0 references
canonical SMILES
O=C1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC4=CC(OC5OC(C)C(O)C(O)C5O)=CC(O)=C14)C=6C=CC(O)=CC6
0 references
Identifiers
InChI
InChI=1S/C33H40O20/c1-10-19(37)23(41)27(45)32(48-10)49-13-6-14(36)18-15(7-13)50-29(11-2-4-12(35)5-3-11)30(22(18)40)53-33-28(46)25(43)21(39)17(52-33)9-47-31-26(44)24(42)20(38)16(8-34)51-31/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3
0 references
InChIKey
QFSDWLPMRWDFID-UHFFFAOYSA-N
0 references
PubChem CID
74428193
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32014486
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309263
1 reference
InChIKey
QFSDWLPMRWDFID-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310935
1 reference
InChIKey
QFSDWLPMRWDFID-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0034396
1 reference
based on heuristic
inferred from InChIKey
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