input word = C00028442

Metabolite InformationStructural formula
Name Labuanine A
Formula C18H11N3O2
Mw 301.08512662
CAS RN 610759-70-1
C_ID C00028442 ,
InChIKey HECBXFITOWBQFA-UHFFFAOYSA-N
InChICode InChI=1S/C18H11N3O2/c22-12-6-8-19-15-14(12)18(23)17-13-10(5-7-20-17)9-3-1-2-4-11(9)21-16(13)15/h1-5,7,23H,6,8H2
SMILES O=C1CCN=c2c1c(O)c1nccc3c4ccccc4nc2c13
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate IPP
Organism
Kingdom Family Species Reference
AnimaliaDesmacellidaeBiemna fortis Ref.
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