input word = C00015486

Metabolite InformationStructural formula
Name TMC 95A
Formula C33H38N6O10
Mw 678.26494148
CAS RN 220666-21-7
C_ID C00015486 ,
InChIKey ZIAXNZCTODBCKW-NYYWCZLTNA-N
InChICode InChI=1S/C33H38N6O10/c1-4-11-35-30(46)25-27(43)33(49)19-8-6-7-17(24(19)39-32(33)48)18-12-16(9-10-22(18)40)13-20(37-31(47)26(42)15(3)5-2)28(44)36-21(14-23(34)41)29(45)38-25/h4,6-12,15,20-21,25,27,40,43,49H,5,13-14H2,1-3H3,(H2,34,41)(H,35,46)(H,36,44)(H,37,47)(H,38,45)(H,39,48)/b11-4+/t15-,20-,21-,25-,27+,33+/m0/s1
SMILES c1cc2c3c(c1)[C@@](C(=O)N3)(O)[C@H](O)[C@@H](C(=O)N/C=C/C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(c2c1)O)NC(=O)C(=O)[C@H](CC)C)CC(=O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
FungiApiosporaceaeApiospora montagnei Sacc. TC 1093 Ref.
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