input word = C00027788

Metabolite InformationStructural formula
Name 90720A
Formula C45H72N10O16S
Mw 1040.48484706
CAS RN 163436-69-9
C_ID C00027788 ,
InChIKey NPEYNCFAMDJLFM-YQKYHRLCNA-N
InChICode InChI=1S/C45H72N10O16S/c1-9-23(5)34(52-39(61)31(57)21-70-72(67,68)69)40(62)53-35-25(7)71-44(66)33(22(3)4)51-38(60)30(20-26-13-15-27(56)16-14-26)54(8)43(65)36(24(6)10-2)55-32(58)18-17-29(42(55)64)50-37(59)28(49-41(35)63)12-11-19-48-45(46)47/h13-16,22-25,28-36,56-58H,9-12,17-21H2,1-8H3,(H,49,63)(H,50,59)(H,51,60)(H,52,61)(H,53,62)(H4,46,47,48)(H,67,68,69)/t23-,24-,25+,28-,29-,30-,31+,32+,33-,34-,35-,36-/m0/s1
SMILES [C@H]1(CC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N1C2=O)[C@@H](C)CC)C)Cc1ccc(cc1)O)C(C)C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](O)COS(=O)(=O)O)CCCNC(=N)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Microchazete loktakensis Ref.
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