input word = C00028952

Metabolite InformationStructural formula
Name Sagitol
Formula C21H18N4O2S
Mw 390.11504658
CAS RN 185543-92-4
C_ID C00028952 ,
InChIKey KUCCLEBOZAZSDY-UHFFFAOYNA-N
InChICode InChI=1S/C21H18N4O2S/c1-2-15(26)22-10-8-21(27)19-16-13(12-5-3-4-6-14(12)25-19)7-9-23-17(16)18-20(21)28-11-24-18/h3-7,9,11,27H,2,8,10H2,1H3,(H,22,26)/t21-/m0/s1
SMILES c12c(nc3c4c1ccnc4c1c([C@@]3(CCNC(=O)CC)O)scn1)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala IPP
Organism
Kingdom Family Species Reference
--Oceanapia sagittaria Ref.
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