input word = C00031943

Metabolite InformationStructural formula
Name Juncin E
(-)-Juncin E
Formula C30H37ClO14
Mw 656.1871836
CAS RN 129602-22-8
C_ID C00031943 ,
InChIKey SOPGXGVLWJRPKF-CMDGGOBGNA-N
InChICode InChI=1S/C28H35ClO12/c1-12-8-9-18(37-14(3)30)26(7)19(38-15(4)31)10-20(39-16(5)32)27(11-36-27)22(26)24(40-17(6)33)28(35)13(2)25(34)41-23(28)21(12)29/h8-9,13,18-24,35H,1,10-11H2,2-7H3/b9-8+/t13-,18-,19-,20-,21+,22-,23-,24-,26-,27-,28+/m1/s1
SMILES C1[C@H]([C@@]2([C@H]3[C@@]([C@@H]1OC(=O)C)([C@@H](/C=C/C(=C)[C@@H]([C@@H]1[C@@]([C@@H]3OC(=O)C)(O)[C@@H](C(=O)O1)C)Cl)OC(=O)C)C)CO2)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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