input word = C00030555

Metabolite InformationStructural formula
Name Itrabin
Formula C35H64O7
Mw 596.4652044
CAS RN 139294-54-5
C_ID C00030555 ,
InChIKey OXYUXHXSELOKOO-IDBSNKHXNA-N
InChICode InChI=1S/C35H64O7/c1-3-4-5-6-7-11-14-17-20-28(36)30-22-24-32(41-30)33-25-23-31(42-33)29(37)21-18-15-12-9-8-10-13-16-19-27-34(38)26(2)40-35(27)39/h26-34,36-38H,3-25H2,1-2H3/t26-,27-,28-,29+,30+,31+,32+,33+,34-/m0/s1
SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCC[C@@H]3C(=O)O[C@@H](C)[C@@H]3O)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona cherimolia Ref.
PlantaeAnnonaceaeAnnona glabra Ref.
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