input word = C00031940

Metabolite InformationStructural formula
Name Juncin A
(-)-Juncin A
Formula C26H33Cl10
Mw 694.94675315
CAS RN 129705-40-4
C_ID C00031940 ,
InChIKey GTHKEJRKRGQZPU-BQYQJAHWNA-N
InChICode InChI=1S/C26H33ClO10/c1-12-7-8-17(34-14(3)28)24(6)18(35-15(4)29)9-10-25(11-33-25)20(24)22(36-16(5)30)26(32)13(2)23(31)37-21(26)19(12)27/h7-8,13,17-22,32H,1,9-11H2,2-6H3/b8-7+/t13-,17-,18+,19+,20-,21-,22-,24-,25+,26+/m1/s1
SMILES C=C1/C=C/C(OC(C)=O)C2(C)C(OC(C)=O)CCC3(CO3)C2C(OC(C)=O)C2(O)C(C)C(=O)OC2C1Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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