input word = C00042235

Metabolite InformationStructural formula
Name Arabidopside B
Formula C45H70O12
Mw 802.4867277
CAS RN 603998-20-5
C_ID C00042235 ,
InChIKey SYJOSMLJXIQXFJ-ACFHMISVNA-N
InChICode InChI=1S/C45H70O12/c1-3-5-13-21-35-32(25-27-37(35)47)19-15-9-7-11-17-23-40(49)54-30-34(31-55-45-44(53)43(52)42(51)39(29-46)57-45)56-41(50)24-18-12-8-10-16-20-33-26-28-38(48)36(33)22-14-6-4-2/h5-6,13-14,25-28,32-36,39,42-46,51-53H,3-4,7-12,15-24,29-31H2,1-2H3/b13-5+,14-6+/t32-,33+,34-,35+,36+,39-,42+,43-,44-,45+/m0/s1
SMILES [C@@H]1(OC[C@@H](OC(=O)CCCCCCC[C@@H]2C=CC(=O)[C@@H]2C/C=C/CC)COC(=O)CCCCCCC[C@H]2C=CC(=O)[C@@H]2C/C=C/CC)O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
zoom in