input word = C00045330

Metabolite InformationStructural formula
Name Jaborosalactone P
Formula C28H36O6
Mw 468.25118888
CAS RN 128232-94-0
C_ID C00045330 ,
InChIKey PUGVQJIZFAUFIH-AGGCVWLZNA-N
InChICode InChI=1S/C28H36O6/c1-14-15(2)28(34-23(14)31)22(30)16(3)26(32)12-11-19-18-10-9-17-7-6-8-21(29)24(17,4)20(18)13-27(28,33)25(19,26)5/h6,8-9,16,18-20,22,30,32-33H,7,10-13H2,1-5H3/t16-,18+,19+,20+,22-,24+,25+,26-,27-,28+/m1/s1
SMILES C1=CCC2=CC[C@@H]3[C@@H]([C@]2(C1=O)C)C[C@]1([C@]2([C@H]3CC[C@]2([C@@H]([C@H]([C@@]21OC(=O)C(=C2C)C)O)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeJaborosa odonelliana Ref.
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OrganismJaborosa odonelliana
ReferenceCirigliana,J.Nat.Prod.,65,(2002),1049