input word = C00031938

Metabolite InformationStructural formula
Name Juncenolide C
(-)-Juncenolide C
Formula C30H38O15
Mw 638.22107055
CAS RN 498556-53-9
C_ID C00031938 ,
InChIKey YRIFCYVSONYKSX-IIONUCQTNA-N
InChICode InChI=1S/C30H38O15/c1-13-27(37)45-21-10-19(11-31)8-9-20(40-14(2)32)28(7)23(26(30(13,21)38)44-18(6)36)29(12-39-29)25(43-17(5)35)22(41-15(3)33)24(28)42-16(4)34/h8-10,13,20-26,31,38H,11-12H2,1-7H3/b9-8+,19-10+/t13-,20-,21-,22+,23-,24-,25+,26-,28+,29-,30+/m0/s1
SMILES CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@]2(CO2)[C@H]2[C@H](OC(C)=O)C3(O)[C@H](/C=C(CO)C=C[C@H](OC(C)=O)[C@@]2(C)[C@H]1OC(C)=O)OC(=O)[C@@H]3C
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