input word = C00027107

Metabolite InformationStructural formula
Name Brassicanal A
Formula C10H9NOS
Mw 191.04048465
CAS RN 113866-44-7
C_ID C00027107 ,
InChIKey QSSMEVWVRIEBSR-UHFFFAOYSA-N
InChICode InChI=1S/C10H9NOS/c1-13-10-8(6-12)7-4-2-3-5-9(7)11-10/h2-6,11H,1H3
SMILES c1ccc2c(c1)[nH]c(c2C=O)SC
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas cichorii Ref.
PlantaeCruciferaeBrassica campestris ssp.Pekinensis Ref.
PlantaeCruciferaeBrassica napus L.ssp.rapifera Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeRaphanus sativus Ref.
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OrganismRaphanus sativus
ReferencePedras,Phytochem.,53,(2000),161