2-(3,4-dimethoxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-4h-chromen-4-one
- Other Name: 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- InChIKey: NDZUYFALDGMYPX-YZQASPGFSA-N
- InChI: InChI=1S/C25H28O13/c1-33-14-4-3-11(7-15(14)34-2)23-24(38-25-22(32)21(31)19(29)17(10-27)37-25)20(30)18-13(28)8-12(35-6-5-26)9-16(18)36-23/h3-4,7-9,17,19,21-22,25-29,31-32H,5-6,10H2,1-2H3/t17-,19-,21+,22-,25+/m1/s1
- SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OCCO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC
- Exact Mass: 536.15299
- Molecular Formula: C25H28O13
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Compound CID:
118753048
118753048
Hidden Reactions Filter
Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products.
These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph.
To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.
You can have all these paths in the download output.
You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
- Carbon dioxide → Formylmethanofuran
- Acrolein → Chembl3706542
- Ethylene oxide → Acetyl-coa
- Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.
Click on a node or edge to see details here.