input word = C00047983

Metabolite InformationStructural formula
Name Lyngbyazothrin B
Formula C61H94N12O18
Mw 1282.68090429
CAS RN 1182344-88-2
C_ID C00047983 ,
InChIKey OCPKVHKLLYWOOG-UXBYABNINA-N
InChICode InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36-,38+,39-,40+,41-,42-,43-,44-,45+,46-,49+,50+,51-/m0/s1
SMILES N12[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N4[C@H](C1=O)CCC4)CCC(=O)N)O)C[C@H](O)C[C@H](O)[C@H](O)CC(C)C)CCC3)CCc1ccccc1)[C@@H](C)O)CO)[C@@H](C)CC)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Lyngbya sp. 36.91 Ref.
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