input word = C00057965

Metabolite InformationStructural formula
Name Squamotacin
Formula C37H66O7
Mw 622.48085446
CAS RN 174158-66-8
C_ID C00057965
InChIKey GXZZLWVQYXFTJE-DACSEHCNSA-N
InChICode InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-11-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34?,35+,36+/m0/s1
SMILES CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CCC([C@H](O)CCCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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