input word = C00056873

Metabolite InformationStructural formula
Name Omphalotin I
Formula C76H125N13O20
Mw 1539.91638353
CAS RN 1143452-94-1
C_ID C00056873
InChIKey FSRBKEPDLRLHRX-DZWSPFCHSA-N
InChICode InChI=1S/C76H125N13O20/c1-29-43(11)55-66(98)83(24)58(42(9)10)69(101)84(25)57(41(7)8)67(99)79(20)37-51(91)81(22)61(75(18,19)105)71(103)86(27)60(45(13)46(14)108-53(93)36-74(16,17)104)70(102)87(28)72(109-47(15)90)63(95)77-54(39(3)4)65(97)85(26)59(44(12)30-2)68(100)80(21)38-52(92)88-50(64(96)82(23)56(40(5)6)62(94)78-55)35-76(106)48-33-31-32-34-49(48)89(107)73(76)88/h31-34,39-46,50,54-61,72-73,104-107H,29-30,35-38H2,1-28H3,(H,77,95)(H,78,94)/t43-,44-,45-,46?,50-,54-,55-,56-,57-,58-,59-,60-,61+,72?,73+,76+/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(=O)CC(C)(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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