input word = C00052585

Metabolite InformationStructural formula
Name 2-(n-butyl)-5-hydroxy-7-phenyl-2H-benzo[de]isoquinoline-1,6-dione
Formula C22H19NO3
Mw 345.13649348
CAS RN 1393689-34-3
C_ID C00052585
InChIKey YPHBYPBCEXTGDG-UHFFFAOYSA-N
InChICode InChI=1S/C22H19NO3/c1-2-3-11-23-13-15-12-18(24)21(25)20-16(14-7-5-4-6-8-14)9-10-17(19(15)20)22(23)26/h4-10,12-13,24H,2-3,11H2,1H3
SMILES CCCCn1cc2c3c(c(-c4ccccc4)ccc3c1=O)C(=O)C(O)=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHaemodoraceaeWachendorfia thyrsiflora Ref.
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OrganismWachendorfia thyrsiflora
ReferenceFang, J. et al., Phytochemistry, 81, (2012), 144-152.