input word = C00044198

Metabolite InformationStructural formula
Name Isoannoreticuin
Formula C35H64O7
Mw 596.4652044
CAS RN 142474-61-1
C_ID C00044198 ,
InChIKey FGLYVGRJXTUDRE-UHFFFAOYNA-N
InChICode InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3/t28-,29-,30+,31-,32-,33+,34+/m1/s1
SMILES CCCCCCCCCCCC[C@H]([C@@H]1CC[C@H](O1)[C@H](O)CCCCC[C@@H](O)CCCC[C@H]1C[C@H](C(=O)O1)CC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona reticulata Ref.
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