input word = C00052762

Metabolite InformationStructural formula
Name 7,8-Dihydroxyrutaecarpine
Formula C18H13N3O3
Mw 319.0956913
CAS RN 472965-96-1
C_ID C00052762
InChIKey BQJHWRYMRYEXIF-MAUKXSAKSA-N
InChICode InChI=1S/C18H13N3O3/c22-15-13-9-5-1-3-7-11(9)19-14(13)16-20-12-8-4-2-6-10(12)17(23)21(16)18(15)24/h1-8,15,18-19,22,24H/t15-,18+/m0/s1
SMILES O[C@@H]1[C@@H](O)N2C(C3=CC=CC=C3N=C2C4=C1C(C=CC=C5)=C5N4)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
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OrganismPhellodendron amurense
ReferenceXian, X. et al., J. Sep. Sci., 37, (2014), 1533-1545.