Dihydroxy-O-demethylated silybin
- InChIKey: RTNZIYGKEBIDHR-VBICKZDXSA-N
- InChI: InChI=1S/C24H20O12/c25-7-16-23(9-3-10(26)18(29)11(27)4-9)35-14-5-8(1-2-13(14)34-16)24-22(33)21(32)17-15(36-24)6-12(28)19(30)20(17)31/h1-6,16,22-31,33H,7H2/t16-,22+,23-,24-/m1/s1
- SMILES: C1=CC2=C(C=C1[C@@H]3[C@H](C(=O)C4=C(O3)C=C(C(=C4O)O)O)O)O[C@@H]([C@H](O2)CO)C5=CC(=C(C(=C5)O)O)O
- Exact Mass: 500.09548
- Molecular Formula: C24H20O12
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Compound CID:
169502112
169502112
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.