input word = C00040367

Metabolite InformationStructural formula
Name Squamostatin A
Annonin XVI
Formula C37H66O8
Mw 638.47576908
CAS RN 128232-75-7
C_ID C00040367 ,
InChIKey HKIHGTSLUYNNHM-RDZCXKDENA-N
InChICode InChI=1S/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29-,30+,31-,32-,33+,34+,35+,36+/m0/s1
SMILES CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CC[C@H](O)[C@H]2CC[C@@H](CCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona atemoya Ref.
PlantaeAnnonaceaeAnnona cherimola Ref.
PlantaeAnnonaceaeAnnona cherimolia Ref.
PlantaeAnnonaceaeAnnona squamosa Ref.
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OrganismAnnona cherimola
ReferenceKawazu, K. et al., Agric. Biol. Chem., 1989, 53, 2719-2722 (isol, Annonin)