input word = C00044827

Metabolite InformationStructural formula
Name Jaborosalactol 18
(+)-Jaborosalactol 18
Formula C28H38O7
Mw 486.26175357
CAS RN 643752-89-0
C_ID C00044827 ,
InChIKey OWTUMHZPOZYQQH-IZZHJTNJNA-N
InChICode InChI=1S/C28H38O7/c1-22-9-7-15-16(8-10-27-20(34-27)6-5-19(29)24(15,27)3)28(22,32)14-11-17(26(22,31)12-14)18-13-23(2)25(4,35-23)21(30)33-18/h5-6,14-18,20-21,30-32H,7-13H2,1-4H3/t14-,15-,16+,17+,18+,20-,21+,22+,23-,24-,25+,26+,27-,28+/m0/s1
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@H]4C=CC(=O)[C@]35C)[C@]1(O)[C@H]1C[C@H]([C@H]3C[C@]4(C)O[C@]4(C)[C@H](O)O3)[C@]2(O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeJaborosa bergii Ref.
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