input word = C00040881

Metabolite InformationStructural formula
Name Asitrilobin B
(+)-Asitrilobin B
Formula C35H64O7
Mw 596.4652044
CAS RN 227783-86-0
C_ID C00040881 ,
InChIKey XNODZYPOIPVPRF-NWRXCNKQNA-N
InChICode InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(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@@H]1(CC[C@H](O1)[C@H](CCCCCCCCCCCC)O)[C@H](CCCC[C@H](CCCCC[C@H](CC1=C[C@@H](OC1=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAsimina triloba Ref.
zoom in