input word = C00031936

Metabolite InformationStructural formula
Name Juncenolide A
(-)-Juncenolide A
Formula C28H39ClO10
Mw 570.22317518
CAS RN 394248-11-4
C_ID C00031936 ,
InChIKey FEADIBNCSZHHLW-YFWOLTTFNA-N
InChICode InChI=1S/C28H39ClO10/c1-7-8-20(32)38-18-10-9-14(2)21(29)23-28(34,15(3)25(33)39-23)24(37-17(5)31)22-26(18,6)19(36-16(4)30)11-12-27(22)13-35-27/h15,18-19,21-24,34H,2,7-13H2,1,3-6H3/t15-,18-,19-,21-,22+,23-,24-,26+,27-,28-/m0/s1
SMILES C=C1CC[C@H](OC(=O)CCC)C2(C)C([C@H](OC(C)=O)C3(O)[C@@H](C)C(=O)O[C@H]3[C@H]1Cl)[C@]1(CC[C@@H]2OC(C)=O)CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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