input word = C00017989

Metabolite InformationStructural formula
Name Emerimicin IV
Antibiotic EM 4
Samarosporin I
Stilbellin I
Formula C77H120N16O19
Mw 1572.89156577
CAS RN 52931-43-8
C_ID C00017989 ,
InChIKey LSJHBSMFQYTUER-UHFFFAOYNA-N
InChICode InChI=1S/C77H120N16O19/c1-20-77(19,70(112)93-40-49(97)37-54(93)62(104)87-71(7,8)64(106)81-47(41-94)34-45-27-23-21-24-28-45)88-58(100)50(31-32-55(78)98)83-61(103)53-36-48(96)39-92(53)69(111)76(17,18)91-67(109)74(13,14)85-59(101)51(33-42(2)3)82-56(99)38-79-63(105)57(43(4)5)84-65(107)72(9,10)89-68(110)75(15,16)90-66(108)73(11,12)86-60(102)52(80-44(6)95)35-46-29-25-22-26-30-46/h21-30,42-43,47-54,57,94,96-97H,20,31-41H2,1-19H3,(H2,78,98)(H,79,105)(H,80,95)(H,81,106)(H,82,99)(H,83,103)(H,84,107)(H,85,101)(H,86,102)(H,87,104)(H,88,100)(H,89,110)(H,90,108)(H,91,109)/t47-,48-,49+,50-,51-,52-,53+,54+,57-,77-/m1/s1
SMILES N([C@](C)(CC)C(=O)N1C[C@H](C[C@H]1C(=O)NC(C)(C(=O)N[C@@H](CO)Cc1ccccc1)C)O)C(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H]1C[C@H](CN1C(=O)C(NC(=O)C(NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(NC(=O)C(C)(C)NC(=O)[C@H](NC(=O)C)Cc1ccccc1)C)CC(C)C)(C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
FungiIncertae sedisEmericellopsis microspora strain 333 Ref.
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