input word = C00031769

Metabolite InformationStructural formula
Name Epinodosin
Formula C20H26O6
Mw 362.17293856
CAS RN 20086-60-6
C_ID C00031769 ,
InChIKey WZYJEEIAFBHYJS-UHFFFAOYNA-N
InChICode InChI=1S/C20H26O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14-,16-,19+,20+/m1/s1
SMILES [C@H]12C(=C)C(=O)[C@@]3(C1)C(=O)O[C@@H]1[C@@]4([C@H]3[C@@H](C2)O)[C@@H](C(CC1)(C)C)[C@@H](OC4)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon rubescens var. lushanensis Ref.
PlantaeLabiataeIsodon sculponeatus Ref.
zoom in