input word = C00003217

Metabolite InformationStructural formula
Name Arnicolide A
Formula C17H22O5
Mw 306.14672381
CAS RN 36505-53-0
C_ID C00003217 ,
InChIKey NEIIKBWBBCJSQU-LWTAQSJZNA-N
InChICode InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9+,11-,12-,14-,15+,17?/m1/s1
SMILES [C@H]12[C@]([C@H]([C@H]3[C@@H](C[C@H]1C)OC(=O)[C@H]3C)OC(=O)C)(C(=O)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArnica montana Ref.
zoom in