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(Q110204882)
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English
Flavonol base + 3O, O-Hex, O-MalonylHex
group of stereoisomers with the chemical formula C₃₀H₃₂O₁₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
696.153778804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₃₂O₁₉
0 references
canonical SMILES
O=C(O)CC(=O)OCC1OC(OC=2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C=5C=CC(O)=CC5)C(O)C(O)C1O
0 references
found in taxon
Equisetum
1 reference
stated in
New Kaempferol Glycosides from Equisetum Species
Identifiers
InChI
InChI=1S/C30H32O19/c31-8-15-20(37)23(40)25(42)29(47-15)45-12-5-13(33)19-14(6-12)46-27(10-1-3-11(32)4-2-10)28(22(19)39)49-30-26(43)24(41)21(38)16(48-30)9-44-18(36)7-17(34)35/h1-6,15-16,20-21,23-26,29-33,37-38,40-43H,7-9H2,(H,34,35)
0 references
InChIKey
PSZBCORWZMVATQ-UHFFFAOYSA-N
0 references
PubChem CID
74978040
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PSZBCORWZMVATQ-UHFFFAOYSA-N
UniChem compound ID
77910093
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309257
1 reference
InChIKey
PSZBCORWZMVATQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310929
1 reference
InChIKey
PSZBCORWZMVATQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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