input word = C00051929

Metabolite InformationStructural formula
Name Tryptoquialanine A
Formula C27H26N4O7
Mw 518.18014922
CAS RN
C_ID C00051929
InChIKey
InChICode InChI=1S/C27H26N4O7/c1-14(37-15(2)32)21-28-18-11-7-5-9-16(18)22(33)29(21)20-13-27(38-23(20)34)17-10-6-8-12-19(17)30-24(27)31(36)26(3,4)25(30)35/h5-12,14,20,24,36H,13H2,1-4H3/t14-,20+,24-,27-/m0/s1
SMILES c12c(cccc1)c(=O)n(c(n2)[C@H](C)OC(=O)C)[C@@H]1C[C@]2(OC1=O)c1c(N3[C@H]2N(C(C3=O)(C)C)O)cccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium aethiopicum Ref.
FungiTrichocomaceaePenicillium digitatum Ref.
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OrganismPenicillium digitatum
ReferenceAriza, M.R. et al., J. Agric. Food Chem., 2002, 50, 6361-6365 (Tryptoquialanine A)