[(9Z,21E)-2,15,17,32-tetrahydroxy-16-(hydroxymethyl)-11-methoxy-3,7,12,14,18,22-hexamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-27,29-diazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate
- InChIKey: AAWZSTHFADYVRC-ZCFOXJOFSA-N
- InChI: InChI=1S/C47H63N3O12/c1-23(2)21-50-17-15-47(16-18-50)48-37-30-20-32(53)24(3)12-11-13-25(4)39(54)31(22-51)40(55)27(6)43(61-29(8)52)26(5)33(59-10)14-19-60-46(9)45(58)36-34(38(37)49-47)35(42(30)57)41(56)28(7)44(36)62-46/h11-14,19,23,25-27,31,33,39-40,43,51,54-57H,15-18,20-22H2,1-10H3/b13-11?,19-14-,24-12+
- SMILES: CC1C=C/C=C(/C(=O)CC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C\C(C(C(C(C(C(C1O)CO)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)\C
- Exact Mass: 861.44117
- Molecular Formula: C47H63N3O12
-
Compound CID:
154700015
154700015
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.