input word = C00017602

Metabolite InformationStructural formula
Name Janthinocin A
Formula C57H84N12O16
Mw 1192.61282473
CAS RN 131086-52-7
C_ID C00017602 ,
InChIKey OLHPIHADOUWWTO-FTFSGFEDNA-N
InChICode InChI=1S/C57H84N12O16/c1-9-29(7)40(59)52(79)69-44-47(28(5)6)85-57(84)37(23-31-17-12-11-13-18-31)63-49(76)36(21-16-22-58)62-55(82)43(46(74)33-24-60-35-20-15-14-19-32(33)35)68-50(77)38(25-70)64-48(75)34(10-2)61-54(81)42(45(73)27(3)4)67-51(78)39(26-71)65-53(80)41(30(8)72)66-56(44)83/h10-15,17-20,24,27-30,36-47,60,70-74H,9,16,21-23,25-26,58-59H2,1-8H3,(H,61,81)(H,62,82)(H,63,76)(H,64,75)(H,65,80)(H,66,83)(H,67,78)(H,68,77)(H,69,79)/b34-10+/t29-,30-,36+,37+,38+,39-,40+,41+,42-,43+,44+,45+,46+,47+/m1/s1
SMILES [C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)/C(=C\C)/NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](OC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCN)Cc1ccccc1)C(C)C)NC(=O)[C@@H](N)[C@H](C)CC)[C@H](O)C)CO)[C@@H](O)C(C)C)CO)(c1c2c(cccc2)[nH]c1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Janthinobacterium lividum Ref.
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