input word = C00038131

Metabolite InformationStructural formula
Name 12,15-cis-Squamostatin A
Formula C37H66O8
Mw 638.47576908
CAS RN 246246-29-7
C_ID C00038131 ,
InChIKey HKIHGTSLUYNNHM-OTSFCDNPNA-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=CC(C)OC3=O)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona atemoya Ref.
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