input word = C00016686

Metabolite InformationStructural formula
Name Win 66306
Formula C41H52N8O9
Mw 800.38572532
CAS RN 151928-32-4
C_ID C00016686 ,
InChIKey BNPYZZVTLFIGQT-UHFFFAOYNA-N
InChICode InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30-,35-,36+,37+/m0/s1
SMILES N1CC(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N2[C@H](C(=O)NCC(=O)N[C@H](C1=O)C(C)C)CCC2)Cc1c2c([nH]c1)cccc2)[C@@H](c1ccc(c(c1)CC=C(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus sp. SC230 Ref.
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