3-deacetyl-azadirachtinin
- Other Name: 3-Deacetyl-azadirachtinin
- InChIKey: KREGTIYQMIPUIU-SOXCJTJHSA-N
- InChI: InChI=1S/C33H42O15/c1-7-14(2)22(35)46-17-11-16(34)29(24(36)41-5)12-44-19-20(29)30(17)13-45-32(39,25(37)42-6)23(30)27(3)21(19)48-28(4)15-10-18(33(27,28)40)47-26-31(15,38)8-9-43-26/h7-9,15-21,23,26,34,38-40H,10-13H2,1-6H3/b14-7+/t15?,16-,17+,18?,19-,20+,21-,23+,26?,27+,28-,29+,30+,31?,32+,33+/m1/s1
- SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@@]5([C@@H]3O[C@]6([C@@]5(C7CC6C8(C=COC8O7)O)O)C)C)(C(=O)OC)O)C(=O)OC)O
- Exact Mass: 678.25237
- Molecular Formula: C33H42O15
-
Compound CID:
139595804
139595804
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.