2-(5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-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-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-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: NYHQDQXTJBKEIC-VJWBNASDSA-N
- InChI: InChI=1S/C30H34O18/c1-10-20(35)23(38)25(40)29(45-10)44-8-17-21(36)24(39)26(41)30(47-17)48-28-22(37)19-14(32)6-12(43-9-18(33)34)7-16(19)46-27(28)11-3-4-15(42-2)13(31)5-11/h3-7,10,17,20-21,23-26,29-32,35-36,38-41H,8-9H2,1-2H3,(H,33,34)/t10-,17+,20-,21+,23+,24-,25+,26+,29+,30-/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)OC)O)O)O)O)O)O)O
- Exact Mass: 682.17451
- Molecular Formula: C30H34O18
-
Compound CID:
118753211
118753211
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.