input word = C00031944

Metabolite InformationStructural formula
Name Juncin G
(+)-Juncin G
Formula C33H45ClO12
Mw 668.25995461
CAS RN 189513-64-2
C_ID C00031944 ,
InChIKey HFCABRVNWXZMBJ-NKSLMZNWNA-N
InChICode InChI=1S/C33H45ClO12/c1-11-14(2)31(39)46-29-26(42-19(7)36)17(5)24-27(43-20(8)37)23-16(4)32(40)45-28(23)25(34)15(3)12-13-22(41-18(6)35)33(24,10)30(29)44-21(9)38/h12,14,17,22,24-30H,11,13H2,1-10H3/b15-12-/t14-,17-,22+,24-,25+,26+,27-,28-,29+,30+,33-/m1/s1
SMILES [C@@H]1([C@H]([C@@H]([C@H]2[C@]([C@H]1OC(=O)C)([C@H](C/C=C(\[C@@H]([C@H]1C(=C(C(=O)O1)C)[C@H]2OC(=O)C)Cl)/C)OC(=O)C)C)C)OC(=O)C)OC(=O)[C@H](C)CC
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