input word = C00001516

Metabolite InformationStructural formula
Name alpha-Amanitin
Formula C39H54N10O14S
Mw 918.35416724
CAS RN 23109-05-9
C_ID C00001516 ,
InChIKey WQVBVHXDTSXPQE-QMPRMZFYNA-N
InChICode InChI=1S/C39H54N10O14S/c1-4-16(2)30-36(60)43-11-28(54)44-25-15-64(63)38-21(20-6-5-18(51)7-23(20)46-38)9-24(33(57)42-12-29(55)47-30)45-37(61)31(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)22(32(40)56)10-41-34(25)58/h5-7,16-17,19,22,24-27,30-31,46,50-53H,4,8-15H2,1-3H3,(H2,40,56)(H,41,58)(H,42,57)(H,43,60)(H,44,54)(H,45,61)(H,47,55)(H,48,59)/t16-,17-,19+,22+,24-,25-,26-,27-,30-,31-,64+/m0/s1
SMILES c12c(cc(cc1)O)[nH]c1c2C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@H](CNC(=O)[C@H](C[S@+]1[O-])NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)[C@H](CC)C)C(=O)N)C[C@@H](C3)O)[C@@H](C)[C@@H](O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiAmanitaceaeAmanita bisporigera Ref.
FungiAmanitaceaeAmanita ocreata Ref.
FungiAmanitaceaeAmanita phalloides Ref.
FungiAmanitaceaeAmanita verna Ref.
FungiAmanitaceaeAmanita virosa Ref.
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OrganismAmanita virosa
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter15