input word = C00046780

Metabolite InformationStructural formula
Name Isogravacridonechlorine
Formula C19H18ClNO4
Mw 359.09243578
CAS RN 62512-94-1
C_ID C00046780 ,
InChIKey PGOOUZZLZBIMRI-UHFFFAOYNA-N
InChICode InChI=1S/C19H18ClNO4/c1-19(24,9-20)15-7-11-14(25-15)8-13(22)16-17(11)21(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,22,24H,7,9H2,1-2H3/t15-,19+/m0/s1
SMILES c1cccc2c1c(=O)c1c(n2C)c2c(cc1O)O[C@@H](C2)[C@](O)(CCl)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta chalepensis Ref.
PlantaeRutaceaeRuta graveolens Ref.
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