input word = C00054612

Metabolite InformationStructural formula
Name 1,2-Dihydrothiazolo[2',3':2,3]pyrimido[4,5-b]indole-1-carboxylic acid
Formula C13H9N3O2S
Mw 271.04154728
CAS RN 238757-90-9
C_ID C00054612
InChIKey CVIDYHVNYYVOGW-UHFFFAOYSA-N
InChICode InChI=1S/C13H9N3O2S/c17-12(18)10-6-19-13-14-5-8-7-3-1-2-4-9(7)15-11(8)16(10)13/h1-5,10H,6H2,(H,17,18)
SMILES O=C(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)