input word = C00031942

Metabolite InformationStructural formula
Name Juncin D
(-)-Juncin D
Formula C28H35ClO12
Mw 598.18170429
CAS RN 129602-21-7
C_ID C00031942 ,
InChIKey CMKNGEIJCJJGAQ-MDZDMXLPNA-N
InChICode InChI=1S/C30H37ClO14/c1-12-9-10-19(40-14(3)32)28(8)22(26(44-18(7)36)30(38)13(2)27(37)45-23(30)20(12)31)29(11-39-29)25(43-17(6)35)21(41-15(4)33)24(28)42-16(5)34/h9-10,13,19-26,38H,1,11H2,2-8H3/b10-9+/t13-,19+,20+,21-,22+,23-,24-,25+,26-,28+,29-,30+/m0/s1
SMILES [C@H]1([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)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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OrganismJunceella juncea
ReferenceQi,Chem.Pharm.Bull.,52,(2004),1476