input word = C00040697

Metabolite InformationStructural formula
Name Xerophilusin XIII
(-)-Xerophilusin XIII
Formula C23H32O8
Mw 436.209718
CAS RN 950181-71-2
C_ID C00040697 ,
InChIKey CWUBYYIFICODJA-YVAAPOAONA-N
InChICode InChI=1S/C23H32O8/c1-10-12-9-13(30-11(2)24)14-21-8-6-7-20(3,4)15(21)18(27)23(28,31-19(21)29-5)22(14,16(10)25)17(12)26/h12-15,17-19,26-28H,1,6-9H2,2-5H3/t12-,13-,14-,15+,17-,18-,19-,21+,22-,23+/m0/s1
SMILES C1[C@]23[C@@H](C(CC1)(C)C)[C@@H]([C@@]([C@@]14[C@H]2[C@H](C[C@@H](C(=C)C1=O)[C@@H]4O)OC(=O)C)(O)O[C@@H]3OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
zoom in