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(Q105278109)
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English
6''-O-Galloylquercimeritrin
group of stereoisomers with the chemical formula C₂₈H₂₄O₁₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
flavone
1 reference
inferred from
flavone
mass
616.4817
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₂₄O₁₆
0 references
canonical SMILES
O=C(OCC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C=4C=CC(O)=C(O)C4)C(O)C(O)C1O)C5=CC(O)=C(O)C(O)=C5
0 references
Identifiers
InChI
InChI=1S/C28H24O16/c29-12-2-1-9(3-13(12)30)26-24(38)22(36)19-14(31)6-11(7-17(19)43-26)42-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-15(32)20(34)16(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2
0 references
InChIKey
USBMLXYFQKQZDJ-UHFFFAOYSA-N
0 references
PubChem CID
74977604
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
USBMLXYFQKQZDJ-UHFFFAOYSA-N
ChEBI ID
172773
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H24O16/c29-12-2-1-9(3-13(12)30)26-24(38)22(36)19-14(31)6-11(7-17(19)43-26)42-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-15(32)20(34)16(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2
UniChem compound ID
32017945
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0033593
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
USBMLXYFQKQZDJ-UHFFFAOYSA-N
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