input word = C00058266

Metabolite InformationStructural formula
Name Squamocenin
Formula C37H66O5
Mw 590.49102522
CAS RN 920968-90-7
C_ID C00058266
InChIKey LBFWHQSJIPPDSZ-CMKHWJLPSA-N
InChICode InChI=1S/C37H66O5/c1-3-4-5-6-7-8-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h17,20,30-31,33-36,38-39H,3-16,18-19,21-29H2,1-2H3/b20-17-/t31?,33-,34+,35+,36+/m0/s1
SMILES CCCCCCCC/C=CCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCCCCC2=CC(C)OC2=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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