[(9Z,21E)-2,15,17,32-tetrahydroxy-18-(hydroxymethyl)-11-methoxy-3,7,12,14,16,22-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: XCAPTMBHKWHZHF-ZCFOXJOFSA-N
- InChI: InChI=1S/C47H63N3O12/c1-23(2)21-50-17-15-47(16-18-50)48-37-31-20-32(53)24(3)12-11-13-30(22-51)40(55)26(5)39(54)27(6)43(61-29(8)52)25(4)33(59-10)14-19-60-46(9)45(58)36-34(38(37)49-47)35(42(31)57)41(56)28(7)44(36)62-46/h11-14,19,23,25-27,30,33,39-40,43,51,54-57H,15-18,20-22H2,1-10H3/b13-11?,19-14-,24-12+
- SMILES: CC1C(/C=C\OC2(C(=O)C3=C(O2)C(=C(C4=C3C5=NC6(CCN(CC6)CC(C)C)N=C5C(=C4O)CC(=O)/C(=C/C=CC(C(C(C(C(C1OC(=O)C)C)O)C)O)CO)/C)O)C)C)OC
- Exact Mass: 861.44117
- Molecular Formula: C47H63N3O12
-
Compound CID:
154699715
154699715
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.