5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(2-hydroxyethoxy)-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-4-one
- Other Name: 5-hydroxy-7-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-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-4-one
- InChIKey: DDJWGUBUBAQMLH-YYWMDQEHSA-N
- InChI: InChI=1S/C30H36O17/c1-11-20(34)23(37)25(39)29(44-11)43-10-18-21(35)24(38)26(40)30(46-18)47-28-22(36)19-15(33)8-13(42-6-5-31)9-17(19)45-27(28)12-3-4-16(41-2)14(32)7-12/h3-4,7-9,11,18,20-21,23-26,29-35,37-40H,5-6,10H2,1-2H3/t11-,18+,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)OCCO)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O
- Exact Mass: 668.19525
- Molecular Formula: C30H36O17
-
Compound CID:
118753210
118753210
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.