input word = C00054239

Metabolite InformationStructural formula
Name Actinoside C
Formula C36H44O20
Mw 796.24259385
CAS RN 1010795-63-7
C_ID C00054239
InChIKey UKOJTBBGEVAXGM-ITQSFIGHSA-N
InChICode InChI=1S/C36H44O20/c1-12-22(39)25(42)28(45)34(50-12)49-11-20-23(40)26(43)29(46)36(55-20)56-33-24(41)21-18(38)9-17(10-19(21)54-32(33)15-5-7-16(48-4)8-6-15)53-35-30(47)27(44)31(13(2)51-35)52-14(3)37/h5-10,12-13,20,22-23,25-31,34-36,38-40,42-47H,11H2,1-4H3/t12-,13-,20+,22-,23+,25+,26-,27-,28+,29+,30+,31-,34+,35-,36-/m0/s1
SMILES COc1ccc(-c2oc3cc(O[C@@H]4O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]4O)cc(O)c3c(=O)c2OC2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeActinidiaceaeActinidia kolomikta Ref.
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