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- Other Name: (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-methylsulfonylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
- InChIKey: BMMQQKJCVORDCC-XKJYKICNSA-N
- InChI: InChI=1S/C23H32O5S/c1-21-8-4-15(24)12-14(21)13-18(29(3,26)27)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)28-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18?,20+,21-,22-,23+/m0/s1
- SMILES: C[C@]12CCC(=O)C=C1CC([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)S(=O)(=O)C
- Exact Mass: 420.19705
- Molecular Formula: C23H32O5S
-
Compound CID:
122196586
122196586
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.