input word = C00056872

Metabolite InformationStructural formula
Name Omphalotin H
Formula C73H119N13O19
Mw 1481.87451872
CAS RN 1143452-92-9
C_ID C00056872
InChIKey CHMDQEABSSULKV-LKRVYBGQSA-N
InChICode InChI=1S/C73H119N13O19/c1-28-41(11)53-64(95)80(23)56(40(9)10)67(98)81(24)55(39(7)8)65(96)76(19)35-50(89)78(21)59(72(17,18)101)69(100)83(26)58(43(13)44(14)104-45(15)87)68(99)84(27)70(105-46(16)88)61(92)74-52(37(3)4)63(94)82(25)57(42(12)29-2)66(97)77(20)36-51(90)85-49(62(93)79(22)54(38(5)6)60(91)75-53)34-73(102)47-32-30-31-33-48(47)86(103)71(73)85/h30-33,37-44,49,52-59,70-71,101-103H,28-29,34-36H2,1-27H3,(H,74,92)(H,75,91)/t41-,42-,43-,44?,49-,52-,53-,54-,55-,56-,57-,58-,59+,70?,71+,73+/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(OC(C)=O)N(C)C(=O)[C@H]([C@@H](C)C(C)OC(C)=O)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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