2-(2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-7-yloxy)acetic acid
- Other Name: 2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-7-yl]oxyacetic acid
- InChIKey: XZUDGURLLDSHSI-MAINETKUSA-N
- InChI: InChI=1S/C29H32O18/c1-9-19(35)22(38)24(40)28(44-9)43-7-16-20(36)23(39)25(41)29(46-16)47-27-21(37)18-14(32)5-11(42-8-17(33)34)6-15(18)45-26(27)10-2-3-12(30)13(31)4-10/h2-6,9,16,19-20,22-25,28-32,35-36,38-41H,7-8H2,1H3,(H,33,34)/t9-,16+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1
- SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCC(=O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
- Exact Mass: 668.15886
- Molecular Formula: C29H32O18
-
Compound CID:
118753209
118753209
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.