input word = C00040682

Metabolite InformationStructural formula
Name Xerophilusin B
Formula C20H26O5
Mw 346.17802394
CAS RN 167894-15-7
C_ID C00040682 ,
InChIKey ZKUQCTVJZQFAKY-WBPABLFVNA-N
InChICode InChI=1S/C20H26O5/c1-9-10-5-6-11-18-8-4-7-17(2,3)12(18)14(22)20(23)19(11,13(9)21)15(10)24-16(18)25-20/h10-12,14-16,22-23H,1,4-8H2,2-3H3/t10-,11-,12+,14-,15-,16-,18+,19-,20+/m0/s1
SMILES [C@@H]12[C@]34[C@]5([C@H]([C@@H]6C(CCC[C@@]6([C@H](O5)O2)[C@@H]3CC[C@H]1C(=C)C4=O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon xerophilus Ref.
PlantaeLabiataeIsodon xerophylus Ref.
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OrganismIsodon xerophilus
ReferenceLi,J.Nat.Prod.,70,(2007),1295