input word = C00026880

Metabolite InformationStructural formula
Name Omphalotin A
Formula C69H115N13O12
Mw 1317.87881623
CAS RN 186511-50-2
C_ID C00026880 ,
InChIKey RPRXGEAIZUOLRT-FFEXRUFYNA-N
InChICode InChI=1S/C69H115N13O12/c1-26-43(14)54-64(89)79(22)58(42(12)13)69(94)80(23)56(40(8)9)65(90)76(19)37-52(85)77(20)57(41(10)11)68(93)82(25)60(45(16)28-3)67(92)75(18)36-51(84)72-53(38(4)5)63(88)81(24)59(44(15)27-2)66(91)74(17)35-50(83)71-49(33-46-34-70-48-32-30-29-31-47(46)48)62(87)78(21)55(39(6)7)61(86)73-54/h29-32,34,38-45,49,53-60,70H,26-28,33,35-37H2,1-25H3,(H,71,83)(H,72,84)(H,73,86)/t43-,44-,45-,49-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
SMILES [C@H]1(NC(=O)CN(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C1=O)C)C(C)C)[C@@H](C)CC)C)C(C)C)C)C(C)C)C)C)C(C)C)C)[C@H](CC)C)C)C(C)C)C)[C@@H](C)CC)C)Cc1c2c([nH]c1)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
FungiMarasmiaceaeOmphalotus olearius Ref.
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