input word = C00044327

Metabolite InformationStructural formula
Name Squamosten A
Formula C37H66O7
Mw 622.48085446
CAS RN 155834-22-3
C_ID C00044327 ,
InChIKey XHKLAUPULLMCQU-AVZGGLTQNA-N
InChICode InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-13-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h12,16,27,29,31-36,38-41H,3-11,13-15,17-26,28H2,1-2H3/b16-12-/t29-,31-,32-,33-,34-,35-,36-/m1/s1
SMILES C1(=O)O[C@@H](C=C1C[C@@H](CCCCCCC[C@@H](O)CC[C@H]([C@@H]1O[C@H](CC1)[C@@H](CC/C=C\CCCCCCCCCC)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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OrganismAnnona squamosa
ReferenceZafra-Polo,Phytochem.,48,(1998),1087