(2S,3S,4S,5R)-6-[[(8R,9S,10R,13S,14S,15S,17R)-13-ethyl-17-ethynyl-15-hydroxy-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChIKey: JBEHDKDCZHVUAQ-BRKKTWJOSA-N
- InChI: InChI=1S/C28H38O8/c1-4-27-12-14(3)19-16-9-7-6-8-15(16)10-11-17(19)20(27)18(29)13-28(27,5-2)36-26-23(32)21(30)22(31)24(35-26)25(33)34/h2,8,16-24,26,29-32H,3-4,6-7,9-13H2,1H3,(H,33,34)/t16-,17+,18-,19+,20+,21-,22-,23+,24-,26?,27-,28-/m0/s1
- SMILES: CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1[C@H](C[C@]2(C#C)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)CCC5=CCCC[C@H]35
- Exact Mass: 502.25667
- Molecular Formula: C28H38O8
-
Compound CID:
154699701
154699701
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.