input word = C00021127

Metabolite InformationStructural formula
Name Arnicolide B
Formula C20H28O5
Mw 348.193674
CAS RN 34532-66-6
C_ID C00021127 ,
InChIKey XOSUIROVCFABAY-HZQBXTJWNA-N
InChICode InChI=1S/C20H28O5/c1-10(2)8-16(22)25-18-17-12(4)19(23)24-14(17)9-11(3)13-6-7-15(21)20(13,18)5/h6-7,10-14,17-18H,8-9H2,1-5H3/t11-,12+,13+,14-,17+,18+,20+/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)CC(C)C)(C(=O)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArnica montana Ref.
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