input word = C00049592

Metabolite InformationStructural formula
Name Pulverulentoside II
Formula C33H42O18
Mw 726.23711454
CAS RN 125239-14-7
C_ID C00049592 ,
InChIKey YVOGRPNRFIQCKB-BQYQJAHWNA-N
InChICode InChI=1S/C33H42O18/c1-13-21(38)27(48-19(37)8-7-15-5-4-6-17(43-3)22(15)39)28(46-14(2)36)32(45-13)49-26-16-9-10-44-30(20(16)33(12-35)29(26)51-33)50-31-25(42)24(41)23(40)18(11-34)47-31/h4-10,13,16,18,20-21,23-32,34-35,38-42H,11-12H2,1-3H3/b8-7+/t13-,16+,18+,20+,21-,23+,24+,25-,26-,27+,28-,29-,30+,31-,32+,33+/m0/s1
SMILES [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)OC(=O)/C=C/c1c(c(ccc1)OC)O)OC(=O)C)O[C@H]1[C@H]2[C@@H]([C@@]3([C@H]1O3)CO)[C@H](OC=C2)O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia nodosa L. Ref.
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