2-(3,4-dimethoxyphenyl)-5-hydroxy-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: 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-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: LSKYIKYUCVNIEI-MVXJRKCZSA-N
- InChI: InChI=1S/C31H38O17/c1-12-21(34)24(37)26(39)30(45-12)44-11-19-22(35)25(38)27(40)31(47-19)48-29-23(36)20-15(33)9-14(43-7-6-32)10-18(20)46-28(29)13-4-5-16(41-2)17(8-13)42-3/h4-5,8-10,12,19,21-22,24-27,30-35,37-40H,6-7,11H2,1-3H3/t12-,19+,21-,22+,24+,25-,26+,27+,30+,31-/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)OC)O)O)O)O)O)O
- Exact Mass: 682.21090
- Molecular Formula: C31H38O17
-
Compound CID:
118753049
118753049
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.