input word = C00046466

Metabolite InformationStructural formula
Name Tolybyssidin B
(-)-Tolybyssidin B
Formula C72H114N16O16S
Mw 1490.83194244
CAS RN 329359-86-6
C_ID C00046466 ,
InChIKey OHJABQJIRXSYNI-XZTYKJCONA-N
InChICode InChI=1S/C72H114N16O16S/c1-17-40(13)56-69(102)88-57(41(14)89)70(103)85-55(39(11)12)67(100)84-54(38(9)10)66(99)83-52(36(5)6)65(98)80-49(33-43-24-20-19-21-25-43)63(96)82-51(35(3)4)64(97)76-46(18-2)59(92)77-47(28-23-30-75-72(73)74)60(93)79-50(34-44-26-22-27-45(91)32-44)62(95)78-48(29-31-105-16)61(94)81-53(37(7)8)68(101)87-58(42(15)90)71(104)86-56/h18-22,24-27,32,35-42,47-58,89-91H,17,23,28-31,33-34H2,1-16H3,(H,76,97)(H,77,92)(H,78,95)(H,79,93)(H,80,98)(H,81,94)(H,82,96)(H,83,99)(H,84,100)(H,85,103)(H,86,104)(H,87,101)(H,88,102)(H4,73,74,75)/b46-18-/t40-,41-,42+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57?,58-/m0/s1
SMILES N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C1=O)[C@H](O)C)C(C)C)CCSC)Cc1cc(ccc1)O)CCCNC(=N)N)C(C)C)Cc1ccccc1)C(C)C)C(C)C)C(C)C)[C@@H](O)C)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
--Tolypothrix byssoidea Ref.
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OrganismTolypothrix byssoidea
ReferenceJaki,J.Nat.Prod.,64,(2001),154