input word = C00029616

Metabolite InformationStructural formula
Name Acanthopanaxoside E
(-)-Acanthopanaxoside E
Formula C42H66O15
Mw 810.44017144
CAS RN 951693-60-0
C_ID C00029616 ,
InChIKey LUKOBZAEANPCPQ-YLKQDXSNNA-N
InChICode InChI=1S/C42H66O15/c1-37(2)14-15-42(36(53)57-34-30(49)27(46)26(45)21(18-43)54-34)20(16-37)19-8-9-23-39(5)12-11-25(55-35-31(50)28(47)29(48)32(56-35)33(51)52)38(3,4)22(39)10-13-40(23,6)41(19,7)17-24(42)44/h8,20-32,34-35,43-50H,9-18H2,1-7H3,(H,51,52)/t20-,21+,22-,23+,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40+,41+,42+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus Ref.
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