input word = C00046465

Metabolite InformationStructural formula
Name Tolybyssidin A
(-)-Tolybyssidin A
Formula C71H116N16O17
Mw 1464.8704364
CAS RN 329359-84-4
C_ID C00046465 ,
InChIKey ZWXCBGUTACBDRV-FYWHEHKRNA-N
InChICode InChI=1S/C71H116N16O17/c1-18-38(12)53-65(98)78-48(33-44-26-22-21-23-27-44)60(93)75-45(20-3)58(91)79-50(35(6)7)64(97)86-57(42(16)104-43(17)90)69(102)85-56(41(15)89)67(100)80-51(36(8)9)63(96)81-52(37(10)11)70(103)87-31-25-29-49(87)62(95)76-46(28-24-30-74-71(72)73)59(92)77-47(32-34(4)5)61(94)84-55(40(14)88)68(101)83-54(39(13)19-2)66(99)82-53/h20-23,26-27,34-42,46-57,88-89H,18-19,24-25,28-33H2,1-17H3,(H,75,93)(H,76,95)(H,77,92)(H,78,98)(H,79,91)(H,80,100)(H,81,96)(H,82,99)(H,83,101)(H,84,94)(H,85,102)(H,86,97)(H4,72,73,74)/b45-20-/t38-,39-,40+,41+,42+,46-,47+,48-,49-,50-,51-,52-,53+,54-,55+,56-,57-/m0/s1
SMILES [C@H]1(NC(=O)/C(=C/C)/NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@H](OC(=O)C)C)[C@H](O)C)C(C)C)C(C)C)CCC2)CCCNC(=N)N)CC(C)C)[C@@H](C)O)[C@@H](C)CC)[C@H](CC)C)Cc1ccccc1)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Tolypothrix byssoidea Ref.
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OrganismTolypothrix byssoidea
ReferenceJaki,J.Nat.Prod.,64,(2001),154