input word = C00035424

Metabolite InformationStructural formula
Name Velutine B
Formula C20H26O7
Mw 378.16785319
CAS RN 858341-31-8
C_ID C00035424 ,
InChIKey JSUVYJUNZMGBCL-SECMLKMCNA-N
InChICode InChI=1S/C20H26O7/c1-10-6-11-15-17(2,5-4-12(21)18(15,3)16(24)26-11)20(10)7-13(22)19(27-20)8-14(23)25-9-19/h10-11,14-15,23H,4-9H2,1-3H3/t10-,11-,14-,15-,17+,18+,19+,20-/m1/s1
SMILES C1(=O)CC[C@]2([C@@H]3[C@]1(C(=O)O[C@@H]3C[C@H]([C@@]12CC(=O)[C@@]2(O1)CO[C@H](C2)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium velutinum Ref.
zoom in