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 C[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)c1ccccc1)O[C@@H]1C[C@@H](C(=O)OC[C@H]3O[C@@H](O[C@H]4[C@H](OC(=O)[C@H]5C[C@H](O)[C@]6(O)C(=O)[C@]7(C[C@H](OC(=O)c8ccccc8)[C@H](C)CO7)O[C@@H]6C5)O[C@H](CO)[C@@H](O)[C@@H]4O)[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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