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 CCCCCCCCCCCCC(O)[C@@H]1CC[C@H](C(O)CCCCC(O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAsimina triloba Ref.
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OrganismAsimina triloba
ReferenceWoo,Phytochem.,50,(1999),1033