input word = C00042234

Metabolite InformationStructural formula
Name Arabidopside A
Formula C43H66O12
Mw 774.45542757
CAS RN 603998-18-1
C_ID C00042234 ,
InChIKey FXAOGBMUKJMRHB-YDWXAUTNNA-N
InChICode InChI=1S/C43H66O12/c1-3-5-11-19-33-30(23-25-35(33)45)17-13-8-7-9-15-21-38(47)52-28-32(29-53-43-42(51)41(50)40(49)37(27-44)55-43)54-39(48)22-16-10-14-18-31-24-26-36(46)34(31)20-12-6-4-2/h5-6,11-12,23-26,30-34,37,40-44,49-51H,3-4,7-10,13-22,27-29H2,1-2H3/b11-5+,12-6+/t30-,31-,32+,33+,34+,37-,40-,41-,42+,43+/m1/s1
SMILES [C@H]1(OC[C@@H](OC(=O)CCCCC[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.
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