input word = C00031941

Metabolite InformationStructural formula
Name Juncin B
(-)-Juncin B
Formula C26H35ClO9
Mw 526.19696043
CAS RN 129622-89-5
C_ID C00031941 ,
InChIKey FFSHBZUQILYQTC-PKNBQFBNNA-N
InChICode InChI=1S/C26H35ClO9/c1-12-8-10-18(33-15(4)28)25(7)19(34-16(5)29)11-9-13(2)21(27)23-26(32,14(3)24(31)36-23)22(20(12)25)35-17(6)30/h9,11-12,14,18-23,32H,2,8,10H2,1,3-7H3/b11-9+/t12-,14+,18+,19-,20-,21-,22-,23+,25+,26-/m0/s1
SMILES C1C[C@@H]([C@@H]2[C@]([C@@H]1OC(=O)C)([C@H](/C=C/C(=C)[C@@H]([C@@H]1[C@]([C@H]2OC(=O)C)(O)[C@@H](C(=O)O1)C)Cl)OC(=O)C)C)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