input word = C00021381

Metabolite InformationStructural formula
Name 4beta,8beta,2alpha-Trihydroxy-6alpha-p-hydroxybenzoyloxydaucane
Formula C22H32O6
Mw 392.21988875
CAS RN 128397-56-8
C_ID C00021381 ,
InChIKey QCLJCHLNAUUSNX-GWCKPLBNNA-N
InChICode InChI=1S/C22H32O6/c1-13(2)22(27)10-9-20(3)12-17(24)21(4,26)11-16(18(20)22)28-19(25)14-5-7-15(23)8-6-14/h5-8,13,16-18,23-24,26-27H,9-12H2,1-4H3/t16-,17-,18+,20+,21-,22+/m0/s1
SMILES CC(C)[C@]1(O)CC[C@]2(C)C[C@H](O)[C@@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula sinaica Ref.
zoom in