input word = C00044324

Metabolite InformationStructural formula
Name Squamocin N
Formula C37H66O6
Mw 606.48593984
CAS RN 159993-40-5
C_ID C00044324 ,
InChIKey URLVCROWVOSNPT-JHTNUSNHNA-N
InChICode InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3/t29-,31+,32+,33+,34+,35-,36-/m0/s1
SMILES C(CCCCCCCC[C@@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@@H](OC1=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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