input word = C00016612

Metabolite InformationStructural formula
Name Benzomalvin C
Formula C24H17N3O3
Mw 395.12699143
CAS RN 157047-98-8
C_ID C00016612 ,
InChIKey TWDKBDSVUUKABK-UHFFFAOYNA-N
InChICode InChI=1S/C24H17N3O3/c1-26-21(28)17-12-6-8-14-19(17)27-22(29)16-11-5-7-13-18(16)25-23(27)24(26)20(30-24)15-9-3-2-4-10-15/h2-14,20H,1H3/t20-,24-/m1/s1
SMILES c12c(cccc1)nc1n(c2=O)c2c(C(=O)N([C@@]31O[C@@H]3c1ccccc1)C)cccc2
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Ala L-Phe
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium sp. Ref.
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OrganismPenicillium sp.
ReferenceSun,J.Antibiotics 47,(1994),515