input word = C00046853

Metabolite InformationStructural formula
Name Phyllaemblicin B
(+)-Phyllaemblicin B
Formula C33H44O19
Mw 744.24767923
CAS RN 307504-07-0
C_ID C00046853 ,
InChIKey RLZZBHBWPWGOSA-LXQJPZKUNA-N
InChICode InChI=1S/C33H44O19/c1-13-12-46-32(9-16(13)47-27(42)14-5-3-2-4-6-14)31(44)33(45)19(36)7-15(8-20(33)52-32)28(43)51-30-26(24(40)22(38)18(11-35)49-30)50-29-25(41)23(39)21(37)17(10-34)48-29/h2-6,13,15-26,29-30,34-41,45H,7-12H2,1H3/t13-,15+,16+,17-,18-,19+,20-,21-,22-,23+,24+,25-,26-,29+,30+,32+,33-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)OC(=O)[C@@H]1C[C@@H]2[C@]([C@H](C1)O)(C(=O)[C@]1(O2)OC[C@H]([C@H](C1)OC(=O)c1ccccc1)C)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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