input word = C00016411

Metabolite InformationStructural formula
Name Roseocardin
Roseotoxin A
Formula C31H53N5O7
Mw 607.39449908
CAS RN 168972-17-6
C_ID C00016411 ,
InChIKey IXHIUUIJSWNPTJ-PIUUISGLNA-N
InChICode InChI=1S/C31H53N5O7/c1-11-19(6)24-30(41)35(10)25(18(4)5)31(42)34(9)21(8)27(38)32-14-12-23(37)43-22(16-17(2)3)29(40)36-15-13-20(7)26(36)28(39)33-24/h17-22,24-26H,11-16H2,1-10H3,(H,32,38)(H,33,39)/t19-,20-,21-,22+,24-,25-,26-/m0/s1
SMILES C1NC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](OC(=O)C1)CC(C)C)CC[C@@H]2C)[C@H](CC)C)C)C(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
FungiIncertae sedisTrichothecium roseum TT103 Ref.
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OrganismTrichothecium roseum TT103
ReferenceTsunoo,J.Antibiotics 50,(1997),1007