input word = C00054923

Metabolite InformationStructural formula
Name Barogenin
Formula C27H42O4
Mw 430.30830983
CAS RN 64161-55-3
C_ID C00054923
InChIKey GDKGOXUWEBGZBY-CEEFRGMYSA-N
InChICode InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,25-,26-,27-/m0/s1
SMILES O[C@@H]1CC([C@@]2(CC1)C)=CC[C@]3([H])[C@]2([H])CC[C@]4([C@@]3([H])CC([C@@]4([C@H](C)C(CC[C@H](C)CO)=O)[H])=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum tuberosum Ref.
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