input word = C00049362

Metabolite InformationStructural formula
Name Calamistrin B
(+)-Calamistrin B
Formula C39H70O7
Mw 650.51215459
CAS RN 220525-67-7
C_ID C00049362 ,
InChIKey KZAKGPIHOZQGFU-DOCHFYRFNA-N
InChICode InChI=1S/C39H70O7/c1-4-5-6-7-8-12-17-20-23-26-35(42)36-27-28-37(46-36)38(45-32(3)40)30-34(41)25-22-19-16-14-11-9-10-13-15-18-21-24-33-29-31(2)44-39(33)43/h29,31,34-38,41-42H,4-28,30H2,1-3H3/t31-,34+,35-,36+,37+,38+/m0/s1
SMILES CCCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@@H](C[C@H](O)CCCCCCCCCCCCCC2=C[C@H](C)OC2=O)OC(C)=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeUvaria calamistrata Ref.
zoom in