input word = C00045203

Metabolite InformationStructural formula
Name Adenanthin C
Formula C26H36O8
Mw 476.24101813
CAS RN 319914-23-3
C_ID C00045203 ,
InChIKey QKHLDQYQFFOBAK-VMCXDHMANA-N
InChICode InChI=1S/C26H36O8/c1-12-16-8-17(32-13(2)27)22-25(7)18(24(5,6)19(30)10-20(25)33-14(3)28)9-21(34-15(4)29)26(22,11-16)23(12)31/h16-22,30H,1,8-11H2,2-7H3/t16-,17+,18-,19+,20+,21+,22+,25+,26+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@]([C@H]1OC(=O)C)([C@H]1[C@@]3([C@H](C2)OC(=O)C)C[C@@H](C[C@@H]1OC(=O)C)C(=C)C3=O)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon adenantha Ref.
zoom in