input word = C00044245

Metabolite InformationStructural formula
Name Muricatalin
Formula C35H64O8
Mw 612.46011902
CAS RN 163860-17-1
C_ID C00044245 ,
InChIKey DZDIYBYUWLLBAD-UHFFFAOYNA-N
InChICode InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-30(37)31(38)25-32(39)34(40)33-22-21-29(43-33)19-16-14-15-18-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30+,31-,32+,33+,34+/m0/s1
SMILES C(CCCCCCCCCCCC[C@@H](O)[C@H](C[C@@H](O)[C@@H](O)[C@H]1CC[C@H](O1)CCCCC[C@@H](O)CC1=C[C@@H](OC1=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona muricata Ref.
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