(2s,3s,4s,5r)-3,4,5-trihydroxy-6-[4-[3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxohept-3-enyl]-2-methoxyphenoxy]oxane-2-carboxylic acid
- Other Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[4-[3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxohept-3-enyl]-2-methoxyphenoxy]oxane-2-carboxylic acid
- InChIKey: IENYBFGBLPXEGE-XOEMIVIESA-N
- InChI: InChI=1S/C27H32O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h5-6,9-13,22-25,27,29-33H,3-4,7-8H2,1-2H3,(H,34,35)/t22-,23-,24+,25-,27?/m0/s1
- SMILES: COC1=C(C=CC(=C1)CCC(=O)C=C(CCC2=CC(=C(C=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)OC)O)O
- Exact Mass: 548.18938
- Molecular Formula: C27H32O12
-
Compound CID:
154699819
154699819
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.