[(9Z,21E)-2,15,17,18,32-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-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: NPCFZNUOHYPOPT-FGGLYSIISA-N
- InChI: InChI=1S/C47H63N3O12/c1-23(2)22-50-18-16-47(17-19-50)48-36-30-21-31(52)24(3)13-12-15-45(9,58)43(56)28(7)38(53)26(5)41(61-29(8)51)25(4)32(59-11)14-20-60-46(10)44(57)35-33(37(36)49-47)34(40(30)55)39(54)27(6)42(35)62-46/h12-15,20,23,25-26,28,32,38,41,43,53-56,58H,16-19,21-22H2,1-11H3/b15-12?,20-14-,24-13+
- 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)(C)O)/C)O)C)C)OC
- Exact Mass: 861.44117
- Molecular Formula: C47H63N3O12
-
Compound CID:
154699751
154699751
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.