input word = C00031935

Metabolite InformationStructural formula
Name Junceellolide C
(+)-Junceellolide C
Formula C26H33ClO10
Mw 540.17622499
CAS RN 121769-82-2
C_ID C00031935 ,
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 C1C[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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
--Junceella juncea Ref.
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OrganismJunceella fragilis
ReferenceLiaw,J.Nat.Prod.,71,(2008),1551