input word = C00003172

Metabolite InformationStructural formula
Name (-)-Phytuberin
Phytuberin
(3aR,5aS,8R,9aR)-5,5a,6,7,8,9-Hexahydro-a,a,3a,5a-tetramethyl-3aH-furo[3,2-c]isobenzofuran-8-methanol acetate
Formula C17H26O4
Mw 294.18310932
CAS RN 37209-50-0
C_ID C00003172 ,
InChIKey YARAJYKHRCCDLG-VJRQDWQANA-N
InChICode InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1
SMILES [C@@]12([C@]3(C[C@@H](CC1)C(C)(C)OC(=O)C)[C@](OC2)(C=CO3)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeErwinia carotovora Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
zoom in