input word = C00039535

Metabolite InformationStructural formula
Name Kadlongilactone E
(-)-Kadlongilactone E
Formula C31H40O6
Mw 508.28248901
CAS RN 960365-89-3
C_ID C00039535 ,
InChIKey CFDFOUVGATVVRB-JERMQVOLNA-N
InChICode InChI=1S/C31H40O6/c1-16-11-19-12-20-22-14-31(34)13-18-7-10-25(32)37-29(3,4)21(18)8-9-24(31)30(22,5)15-23(35-6)26(20)17(2)27(19)36-28(16)33/h7,10-11,13,17,19,21-24,27,34H,8-9,12,14-15H2,1-6H3/t17-,19+,21+,22-,23-,24-,27+,30+,31-/m0/s1
SMILES C1=CC2=C[C@]3([C@@H](CC[C@H]2C(OC1=O)(C)C)[C@]1([C@@H](C3)C2=C([C@H](C1)OC)[C@@H]([C@@H]1[C@@H](C2)C=C(C(=O)O1)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura longipedunculata Ref.
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OrganismKadsura longipedunculata
ReferencePu,J.Nat.Prod.,70,(2007),1706