input word = C00042144

Metabolite InformationStructural formula
Name 4''-O-Acetylmananthoside B
Formula C36H38O18
Mw 758.20581441
CAS RN 856676-48-7
C_ID C00042144 ,
InChIKey ZLISWFCCPJPGDP-ABRJZEOPNA-N
InChICode InChI=1S/C36H38O18/c1-14(37)51-32-25(12-48-35-29(41)28(40)20(39)11-47-35)53-36(30(42)33(32)52-15(2)38)54-31-18-9-23(45-4)22(44-3)8-17(18)26(27-19(31)10-46-34(27)43)16-5-6-21-24(7-16)50-13-49-21/h5-9,20,25,28-30,32-33,35-36,39-42H,10-13H2,1-4H3/t20-,25-,28+,29+,30-,32+,33+,35-,36+/m1/s1
SMILES COc1cc2c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia patentiflora Ref.
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