input word = C00054523

Metabolite InformationStructural formula
Name 12'-Apo-beta-carotene-3,12'-diol
Formula C25H36O2
Mw 368.27153039
CAS RN 120021-87-6
C_ID C00054523
InChIKey XVQDCCGQSOTQBN-HEZGKBSMSA-N
InChICode InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t23-/m1/s1
SMILES O[C@H]1CC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/CO)=C(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus persica Ref.
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