input word = C00047671

Metabolite InformationStructural formula
Name 4'-Hydroxyphyllaemblicin B
(+)-4'-Hydroxyphyllaemblicin B
Formula C33H44O20
Mw 760.24259385
CAS RN 1026775-76-7
C_ID C00047671 ,
InChIKey MXGZXGGMUXNJQR-PATLNZKJNA-N
InChICode InChI=1S/C33H44O20/c1-12-11-47-32(8-16(12)48-27(43)13-2-4-15(36)5-3-13)31(45)33(46)19(37)6-14(7-20(33)53-32)28(44)52-30-26(24(41)22(39)18(10-35)50-30)51-29-25(42)23(40)21(38)17(9-34)49-29/h2-5,12,14,16-26,29-30,34-42,46H,6-11H2,1H3/t12-,14+,16+,17-,18-,19+,20-,21-,22-,23+,24+,25-,26-,29+,30+,32+,33-/m1/s1
SMILES [C@@H]1(C[C@@H]([C@]2([C@@H](C1)O[C@]1(C2=O)C[C@@H]([C@@H](CO1)C)OC(=O)c1ccc(cc1)O)O)O)C(=O)O[C@H]1[C@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]([C@@H]([C@H](O1)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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