input word = C00011265

Metabolite InformationStructural formula
Name Neooxaline
Neoxaline
Formula C23H25N5O4
Mw 435.19065432
CAS RN 71812-10-7
C_ID C00011265 ,
InChIKey HHLNXXASUKFCCX-OSFUSZTLNA-N
InChICode InChI=1S/C23H25N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-10,12-13,18,29H,1,11H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t18-,22-,23-/m1/s1
SMILES C=CC(C)(C)[C@]12CC(O)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@@]31N(OC)c1ccccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus japonicus Fg-551 Ref.
FungiTrichocomaceaePenicillium chrysogenum DS54555 Ref.
FungiTrichocomaceaePenicillium roqueforti Ref.
FungiTrichocomaceaePenicillium sp. Ref.
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OrganismPenicillium roqueforti
ReferenceK.Kosalkova et al.,Appl.Microbiol.Biotechnol,99,(2015),7601-7612