input word = C00033299

Metabolite InformationStructural formula
Name Phytolaccoside E
Formula C42H66O16
Mw 826.43508606
CAS RN 65497-07-6
C_ID C00033299 ,
InChIKey ZMXKPCHQLHYTHY-RTRXASFRNA-N
InChICode InChI=1S/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37-,38-,39-,40+,41+,42+/m0/s1
SMILES [C@@]12([C@H]([C@@]([C@H]([C@H](C2)O)O[C@H]2[C@H]([C@H]([C@H](CO2)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)(CO)C)CC[C@@]2([C@@H]1CC=C1[C@]2(CC[C@]2([C@H]1C[C@](CC2)(C(=O)OC)C)C(=O)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhytolaccaceaePhytolacca americana Ref.
PlantaePhytolaccaceaePhytolacca tetramera Hauman Ref.
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