input word = C00044828

Metabolite InformationStructural formula
Name Jaborosalactol 19
(+)-Jaborosalactol 19
Formula C28H36O6
Mw 468.25118888
CAS RN 643752-90-3
C_ID C00044828 ,
InChIKey PUTXXKMZSOGRTC-IRSOCUFKNA-N
InChICode InChI=1S/C28H36O6/c1-23-9-7-16-15(11-20-28(33-20)8-5-6-19(29)25(16,28)3)21(23)14-10-17(27(23,31)12-14)18-13-24(2)26(4,34-24)22(30)32-18/h5-6,14,16-18,20,22,30-31H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27+,28+/m0/s1
SMILES C[C@]12CC[C@H]3C(=C1[C@H]1C[C@H]([C@H]4C[C@]5(C)O[C@]5(C)[C@H](O)O4)[C@]2(O)C1)C[C@H]1O[C@]12CC=CC(=O)[C@]32C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeJaborosa bergii Ref.
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