input word = C00035988

Metabolite InformationStructural formula
Name Acankoreoside E
Formula C48H76O20
Mw 972.49299487
CAS RN 853269-24-6
C_ID C00035988 ,
InChIKey STZMIAAUXCEHHG-PWNYOIRHNA-N
InChICode InChI=1S/C48H76O20/c1-20(17-49)22-9-14-48(16-15-45(4)23(29(22)48)7-8-26-44(3)12-11-28(51)47(6,42(60)61)27(44)10-13-46(26,45)5)43(62)68-41-36(58)33(55)31(53)25(66-41)19-63-39-37(59)34(56)38(24(18-50)65-39)67-40-35(57)32(54)30(52)21(2)64-40/h17,20-41,50-59H,7-16,18-19H2,1-6H3,(H,60,61)/t20-,21+,22-,23-,24-,25-,26-,27-,28-,29-,30+,31-,32-,33+,34-,35-,36-,37-,38-,39-,40+,41+,44-,45-,46-,47+,48+/m1/s1
SMILES C[C@H](C=O)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax koreanum Ref.
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