input word = C00054953

Metabolite InformationStructural formula
Name 4-Deoxyannoreticuin
Formula C35H64O6
Mw 580.47028978
CAS RN 206192-79-2
C_ID C00054953
InChIKey JHKNWORCLXKZFL-KQESJCEYSA-N
InChICode InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-11-18-23-31(37)33-25-26-34(41-33)32(38)24-19-14-17-22-30(36)21-16-13-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28?,30?,31-,32-,33-,34-/m1/s1
SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCC(O)CCCCCCC2=CC(C)OC2=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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