input word = C00044090

Metabolite InformationStructural formula
Name Annoreticuin
Formula C35H64O7
Mw 596.4652044
CAS RN 142488-56-0
C_ID C00044090 ,
InChIKey KMWNDWVUJGIBII-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(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29-,30-,31+,32+,33-,34-/m0/s1
SMILES C(CCCCCCCCC[C@H]([C@@H]1CC[C@H](O1)[C@H](O)CCCCC[C@H](O)CCCC[C@H](O)CC1=C[C@@H](OC1=O)C)O)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona reticulata Ref.
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OrganismAnnona reticulata
ReferenceZafra-Polo,Phytochem.,48,(1998),1087