input word = C00031939

Metabolite InformationStructural formula
Name Juncenolide D
(-)-Juncenolide D
Formula C31H40O15
Mw 652.23672061
CAS RN 498556-54-0
C_ID C00031939 ,
InChIKey JVIRBPVSPYFSOL-YLQWANLANA-N
InChICode InChI=1S/C31H40O15/c1-14-28(37)46-22-11-20(12-39-8)9-10-21(41-15(2)32)29(7)24(27(31(14,22)38)45-19(6)36)30(13-40-30)26(44-18(5)35)23(42-16(3)33)25(29)43-17(4)34/h9-11,14,21-27,38H,12-13H2,1-8H3/b10-9+,20-11+/t14-,21-,22-,23+,24-,25-,26+,27-,29+,30-,31+/m0/s1
SMILES COCC1=C/[C@@H]2OC(=O)[C@H](C)C2(O)[C@@H](OC(C)=O)[C@@H]2[C@@]3(CO3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)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