input word = C00056871

Metabolite InformationStructural formula
Name Omphalotin G
Formula C69H115N13O16
Mw 1381.85847472
CAS RN 1143452-91-8
C_ID C00056871
InChIKey FFNWIMXGQKPQQF-NSVISNIVSA-N
InChICode InChI=1S/C69H115N13O16/c1-26-40(12)49-60(89)76(21)52(39(10)11)63(92)77(22)51(38(8)9)61(90)72(17)34-46(83)74(19)55(68(15,16)96)65(94)79(24)54(42(14)28-3)64(93)80(25)66(95)57(86)70-48(36(4)5)59(88)78(23)53(41(13)27-2)62(91)73(18)35-47(84)81-45(58(87)75(20)50(37(6)7)56(85)71-49)33-69(97)43-31-29-30-32-44(43)82(98)67(69)81/h29-32,36-42,45,48-55,66-67,95-98H,26-28,33-35H2,1-25H3,(H,70,86)(H,71,85)/t40-,41-,42-,45-,48-,49-,50-,51-,52-,53-,54-,55+,66?,67+,69+/m0/s1
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2C[C@@]3(O)c4ccccc4N(O)[C@H]3N2C(=O)CN(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(O)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C(C)(C)O)N(C)C(=O)CN(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMarasmiaceaeOmphalotus olearius Ref.
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