input word = C00038446

Metabolite InformationStructural formula
Name Anacine
Formula C18H22N4O3
Mw 342.1691906
CAS RN 154992-13-9
C_ID C00038446 ,
InChIKey BLYBUUQUELAPPI-AJHJPYAANA-N
InChICode InChI=1S/C18H22N4O3/c1-3-10(2)15-16-20-12-7-5-4-6-11(12)18(25)22(16)13(17(24)21-15)8-9-14(19)23/h4-7,10,13,15H,3,8-9H2,1-2H3,(H2,19,23)(H,21,24)/t10-,13-,15-/m0/s1
SMILES c12c(c(=O)n3c(n1)[C@@H](NC(=O)[C@@H]3CCC(=O)N)[C@H](CC)C)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate Secologanin
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium aurantiogriseum SP0-19 Ref.
FungiTrichocomaceaePenicillium nordicum Ref.
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OrganismPenicillium aurantiogriseum SP0-19
ReferenceXin,J.Nat.Prod.,70,(2007),853