input word = C00017604

Metabolite InformationStructural formula
Name Janthinocin C
Formula C57H82N12O15
Mw 1174.60226004
CAS RN 131086-54-9
C_ID C00017604 ,
InChIKey BRHKGQIVZZCHPV-JUUANGNONA-N
InChICode InChI=1S/C57H82N12O15/c1-9-30(7)42(59)53(79)69-45-47(29(5)6)84-57(83)39(23-32-17-12-11-13-18-32)64-49(75)37(21-16-22-58)62-50(76)38(24-33-25-60-36-20-15-14-19-34(33)36)63-51(77)40(26-70)65-48(74)35(10-2)61-55(81)44(46(73)28(3)4)68-52(78)41(27-71)66-54(80)43(31(8)72)67-56(45)82/h10-15,17-20,24-25,28-31,37,39-47,60,70-73H,9,16,21-23,26-27,58-59H2,1-8H3,(H,61,81)(H,62,76)(H,63,77)(H,64,75)(H,65,74)(H,66,80)(H,67,82)(H,68,78)(H,69,79)/b35-10+,38-24-/t30-,31+,37-,39+,40-,41+,42+,43-,44-,45-,46-,47+/m0/s1
SMILES C(=C\1/NC(=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
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Janthinobacterium lividum Ref.
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