input word = C00056883

Metabolite InformationStructural formula
Name Phyllaemblicin F
Formula C54H66O27
Mw 1146.37914691
CAS RN 1152096-41-7
C_ID C00056883
InChIKey MTNPUJLMKDEZOP-FURKWDTLSA-N
InChICode InChI=1S/C54H66O27/c1-23-20-72-51(17-29(23)74-44(64)25-9-5-3-6-10-25)49(67)53(69)33(56)13-27(15-35(53)80-51)43(63)71-22-32-38(59)39(60)41(62)47(77-32)78-42-40(61)37(58)31(19-55)76-48(42)79-46(66)28-14-34(57)54(70)36(16-28)81-52(50(54)68)18-30(24(2)21-73-52)75-45(65)26-11-7-4-8-12-26/h3-12,23-24,27-42,47-48,55-62,69-70H,13-22H2,1-2H3/t23-,24-,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,47+,48+,51+,52+,53-,54-/m1/s1
SMILES [H][C@@]12C[C@@H](C(O[C@H]3[C@H](O[C@@H]([C@@H]([C@H]([C@@H]4O)O)O)O[C@@H]4COC([C@@H]5C[C@](O[C@]6(OC[C@@H](C)[C@@H](OC(C7=CC=CC=C7)=O)C6)C8=O)([H])[C@]8(O)[C@@H](O)C5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=O)C[C@@H]([C@@]1(C([C@@]9(OC[C@@H](C)[C@@H](OC(C%10=CC=CC=C%10)=O)C9)O2)=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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