input word = C00037974

Metabolite InformationStructural formula
Name Unguisin C
Formula C40H54N8O8
Mw 774.40646076
CAS RN 478270-73-4
C_ID C00037974 ,
InChIKey DYUXTXRHHWGWDU-JBIPLRLSNA-N
InChICode InChI=1S/C40H54N8O8/c1-22(2)33-39(55)45-29(18-25-12-7-6-8-13-25)37(53)48-34(23(3)4)40(56)46-31(21-49)38(54)44-30(19-26-20-42-28-15-10-9-14-27(26)28)36(52)41-17-11-16-32(50)43-24(5)35(51)47-33/h6-10,12-15,20,22-24,29-31,33-34,42,49H,11,16-19,21H2,1-5H3,(H,41,52)(H,43,50)(H,44,54)(H,45,55)(H,46,56)(H,47,51)(H,48,53)/t24-,29+,30-,31-,33-,34-/m1/s1
SMILES C1(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CCCN1)C)C(C)C)Cc1ccccc1)C(C)C)CO)Cc1c[nH]c2c1cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Emericella unguis Ref.
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