input word = C00042237

Metabolite InformationStructural formula
Name Arabidopside D
(+)-Arabidopside D
Formula C51H80O16
Mw 948.54463651
CAS RN 852369-56-3
C_ID C00042237 ,
InChIKey JFTWMYLCKKDOGZ-ZKIGYKIQNA-N
InChICode InChI=1S/C51H80O17/c1-3-5-13-21-36-33(25-27-38(36)53)19-15-9-7-11-17-23-42(55)63-30-35(66-43(56)24-18-12-8-10-16-20-34-26-28-39(54)37(34)22-14-6-4-2)31-64-50-49(62)47(60)45(58)41(68-50)32-65-51-48(61)46(59)44(57)40(29-52)67-51/h5-6,13-14,25-28,33-37,40-41,44-52,57-62H,3-4,7-12,15-24,29-32H2,1-2H3/b13-5-,14-6-/t33-,34+,35-,36+,37-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/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[C@H]1O[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.
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OrganismArabidopsis thaliana
ReferenceHisamatsu,J.Nat.Prod.,68,(2005),600