input word = C00029163

Metabolite InformationStructural formula
Name Ulithiacyclamide E
Formula C35H44N8O8S4
Mw 832.21649336
CAS RN 218916-92-8
C_ID C00029163 ,
InChIKey VUFHWAQOMDAXGA-PHZMWKQUNA-N
InChICode InChI=1S/C35H44N8O8S4/c1-5-16(2)25-35-40-22(13-53-35)29(47)38-23-14-54-55-15-24(31(49)43-27(18(4)45)33(51)41-25)37-28(46)21-12-52-34(39-21)20(11-19-9-7-6-8-10-19)36-32(50)26(17(3)44)42-30(23)48/h6-10,12-13,16-18,20,23-27,44-45H,5,11,14-15H2,1-4H3,(H,36,50)(H,37,46)(H,38,47)(H,41,51)(H,42,48)(H,43,49)/t16-,17-,18-,20-,23+,24+,25-,26+,27+/m1/s1
SMILES [C@H]1(c2nc(cs2)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)NC(=O)c1nc([C@H](NC(=O)[C@@H](NC2=O)[C@@H](C)O)[C@@H](CC)C)sc1)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeLissoclinum patella Ref.
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