input word = C00040696

Metabolite InformationStructural formula
Name Xerophilusin XII
(-)-Xerophilusin XII
Formula C21H30O7
Mw 394.19915331
CAS RN 950181-70-1
C_ID C00040696 ,
InChIKey XHYABSFBWXRDOI-ZYVAOTHJNA-N
InChICode InChI=1S/C21H30O7/c1-9-10-8-11(22)12-19-7-5-6-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(12,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11-,12-,13+,15+,16-,17-,19+,20-,21+/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1C[C@H](O)[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)O[C@@H]2OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
zoom in



OrganismIsodon xerophilus
ReferenceLi,J.Nat.Prod.,70,(2007),1295