input word = C00044326

Metabolite InformationStructural formula
Name Squamostatin E
Formula C37H66O7
Mw 622.48085446
CAS RN 158515-34-5
C_ID C00044326 ,
InChIKey VZEPVAAWZDUQLP-UZCVHTGPNA-N
InChICode InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(38)35-25-26-36(44-35)33(40)23-22-32(39)34-24-21-30(43-34)19-16-13-10-8-9-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31+,32-,33+,34-,35+,36+/m0/s1
SMILES CCCCCCCCCC[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 glabra Ref.
PlantaeAnnonaceaeAnnona squamosa Ref.
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OrganismAnnona squamosa
ReferenceZafra-Polo,Phytochem.,48,(1998),1087