input word = C00044273

Metabolite InformationStructural formula
Name Otivarin
Formula C37H68O7
Mw 624.49650453
CAS RN 92280-15-4
C_ID C00044273 ,
InChIKey BIXWLUMDIFSPDE-JMCKOFESNA-N
InChICode InChI=1S/C37H68O8/c1-3-4-5-6-7-11-14-17-20-30(38)34-25-26-35(45-34)32(40)23-22-31(39)33-24-21-28(44-33)18-15-12-9-8-10-13-16-19-29-36(41)27(2)43-37(29)42/h27-36,38-41H,3-26H2,1-2H3/t27-,28+,29-,30-,31+,32+,33+,34+,35+,36-/m0/s1
SMILES [C@H]1(OC(=O)[C@H]([C@H]1O)CCCCCCCCC[C@@H]1CC[C@@H](O1)[C@@H](CC[C@@H](O)[C@@H]1O[C@H](CC1)[C@H](CCCCCCCCCC)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona cherimolia Ref.
zoom in