input word = C00032947

Metabolite InformationStructural formula
Name Esculentoside G
Formula C48H74O21
Mw 986.47225943
CAS RN 143381-60-6
C_ID C00032947 ,
InChIKey DDDHUKSRQZZNCR-CDODBXRPNA-N
InChICode InChI=1S/C48H74O21/c1-43(41(61)63-6)11-13-48(42(62)69-40-36(60)33(57)30(54)25(18-50)66-40)14-12-46(4)21(22(48)15-43)7-8-28-44(2)16-23(52)37(45(3,20-51)27(44)9-10-47(28,46)5)68-38-34(58)31(55)26(19-64-38)67-39-35(59)32(56)29(53)24(17-49)65-39/h7-8,22-27,29-40,49-60H,9-20H2,1-6H3/t22-,23-,24+,25+,26+,27+,29-,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,43-,44-,45-,46+,47+,48-/m0/s1
SMILES [C@@H]12[C@@](C3=CC=C4[C@]([C@@]3(CC2)C)(CC[C@@]2([C@H]4C[C@@](CC2)(C)C(=O)OC)C(=O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)C)(C[C@@H]([C@@H]([C@@]1(C)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhytolaccaceaePhytolacca americana Ref.
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