input word = C00054613

Metabolite InformationStructural formula
Name CIF 2
Formula C15H12N4O3S
Mw 328.06301101
CAS RN 238757-91-0
C_ID C00054613
InChIKey ZPXJZOIRMZYIAP-UHFFFAOYSA-N
InChICode InChI=1S/C15H12N4O3S/c20-12(21)6-16-14(22)11-7-23-15-17-5-9-8-3-1-2-4-10(8)18-13(9)19(11)15/h1-5,11H,6-7H2,(H,16,22)(H,20,21)
SMILES O=C(O)CNC(=O)C1CSc2ncc3c4ccccc4nc-3n21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea cv. botrytis Ref.
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OrganismBrassica oleracea cv. botrytis
ReferenceHurter, J. et al., Phytochemistry, 1999, 51, 377-382 (isol, pmr, cmr, ms)