input word = C00026983

Metabolite InformationStructural formula
Name Oxazinin-1
Oxazinin 1
Oxazinine 1
Formula C22H21N3O4
Mw 391.15320618
CAS RN 331836-02-3
C_ID C00026983 ,
InChIKey GMCSPTIRNYGHRP-SYDPFBBJNA-N
InChICode InChI=1S/C22H21N3O4/c23-10-3-11-28-15-8-6-14(7-9-15)20-19(13-26)25-22(27)21(29-20)17-12-24-18-5-2-1-4-16(17)18/h1-2,4-9,12,19-21,24,26H,3,11,13H2,(H,25,27)/t19-,20-,21+/m0/s1
SMILES c1ccc2c(c1)[nH]cc2[C@H]1O[C@H]([C@@H](NC1=O)CO)c1ccc(cc1)OCCC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
--Mytilus galloprovincialis Ref.
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