input word = C00040689

Metabolite InformationStructural formula
Name Xerophilusin N
(-)-Xerophilusin N
Formula C20H26O6
Mw 362.17293856
CAS RN 557768-38-4
C_ID C00040689 ,
InChIKey CGLKYUSLUAHYRT-LAYBIEJXNA-N
InChICode InChI=1S/C20H26O6/c1-9-10-5-6-11-18-8-4-7-17(2,3)12(18)15(23)20(25,26-16(18)24)19(11,13(9)21)14(10)22/h10-12,14-15,22-23,25H,1,4-8H2,2-3H3/t10-,11-,12+,14+,15-,18+,19-,20+/m0/s1
SMILES C=C1C(=O)[C@]23C(O)[C@H]1CC[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
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OrganismIsodon xerophilus
ReferenceLi,J.Nat.Prod.,70,(2007),1295