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[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)c1ccc(O)cc1)O[C@@H]1C[C@@H](C(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H](O)[C@]1(O)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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OrganismPhyllanthus emblica
ReferenceLiu,J.Nat.Prod.,72,(2009),969