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@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@H]([C@]3(C(=O)O)C)O)C)C)C)(CC[C@@H]2[C@@H](C=O)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax koreanum Ref.
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