input word = C00027974

Metabolite InformationStructural formula
Name Bruceolline G
Formula C20H18N2O7
Mw 398.11140095
CAS RN 165967-63-5
C_ID C00027974 ,
InChIKey WDUBKLVFFFCASD-XNZYJROLNA-N
InChICode InChI=1S/C20H18N2O7/c23-8-13-17(25)18(26)19(27)20(29-13)28-12-3-1-2-11-15(12)9-6-7-21-10-4-5-14(24)22(11)16(9)10/h1-7,13,17-20,23,25-27H,8H2/t13-,17-,18+,19-,20-/m1/s1
SMILES c1ccc2c(c1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c1c3n2c(=O)ccc3ncc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala IPP
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea mollis var. tonkinensis Ref.
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