input word = C00038024

Metabolite InformationStructural formula
Name Xerophilusin K
(-)-Xerophilusin K
Formula C22H30O7
Mw 406.19915331
CAS RN 382594-65-2
C_ID C00038024 ,
InChIKey PIEODUHIXJYOBG-CQHBEIBQNA-N
InChICode InChI=1S/C22H30O7/c1-10-12-8-13(29-11(2)23)14-20-7-5-6-19(3,4)15(20)18(26)22(27,28-9-20)21(14,16(10)24)17(12)25/h12-15,17-18,25-27H,1,5-9H2,2-4H3/t12-,13-,14-,15+,17+,18-,20+,21-,22+/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
zoom in