input word = C00021413

Metabolite InformationStructural formula
Name 2,3-Epoxyjaeschkeanadiol 5alpha-vanillate
Formula C23H32O6
Mw 404.21988875
CAS RN 112501-40-3
C_ID C00021413 ,
InChIKey LUXHNMNHDPKHBY-KZTUWUEXNA-N
InChICode InChI=1S/C23H32O6/c1-13(2)23(26)9-8-21(3)12-18-22(4,29-18)11-17(19(21)23)28-20(25)14-6-7-15(24)16(10-14)27-5/h6-7,10,13,17-19,24,26H,8-9,11-12H2,1-5H3/t17-,18-,19+,21+,22+,23+/m0/s1
SMILES COc1cc(C(=O)O[C@H]2C[C@@]3(C)O[C@H]3C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula orientalis Ref.
zoom in



OrganismFerula orientalis
ReferenceMiski,J. Nat. Prod.,50,(1987),829