input word = C00010500

Metabolite InformationStructural formula
Name Brasoside
Formula C16H22O9
Mw 358.1263823
CAS RN 70980-41-5
C_ID C00010500 ,
InChIKey QFPBGXPLBMXTBI-OHZXMWNWNA-N
InChICode InChI=1S/C16H22O9/c1-5-2-7-10-6(14(21)23-7)4-22-15(9(5)10)25-16-13(20)12(19)11(18)8(3-17)24-16/h4-5,7-13,15-20H,2-3H2,1H3/t5-,7-,8+,9+,10-,11+,12-,13-,15-,16-/m0/s1
SMILES [C@H]12[C@@H]3[C@@H](OC=C1C(=O)O[C@H]2C[C@@H]3C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeVerbena spp. Ref.
zoom in