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CHEBI:220728 - Omphalotin B

ChEBI IDCHEBI:220728
ChEBI NameOmphalotin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC74H123N13O18
Net Charge0
Average Mass1482.871
Monoisotopic Mass1481.91090
SMILESCC[C@H](C)C1C(=O)N(C)CC(=O)N2C3Nc4ccccc4[C@]3(O)C[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@H](C(C)(C)O)C(=O)N(C)[C@@H]([C@@H](C)[C@H](C)OC(=O)CC(C)(C)O)C(=O)N(C)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N1C
InChIInChI=1S/C74H123N13O18/c1-28-42(11)53-64(95)82(23)56(41(9)10)67(98)83(24)55(40(7)8)65(96)78(19)36-49(88)80(21)59(73(17,18)103)69(100)85(26)58(44(13)45(14)105-51(90)35-72(15,16)102)68(99)86(27)70(101)61(92)76-52(38(3)4)63(94)84(25)57(43(12)29-2)66(97)79(20)37-50(89)87-48(62(93)81(22)54(39(5)6)60(91)77-53)34-74(104)46-32-30-31-33-47(46)75-71(74)87/h30-33,38-45,48,52-59,70-71,75,101-104H,28-29,34-37H2,1-27H3,(H,76,92)(H,77,91)/t42-,43-,44-,45-,48-,52-,53-,54-,55-,56-,57?,58-,59-,70+,71?,74+/m0/s1
InChIKeyOXFJMJABEYYCPG-CRFBPLLKSA-N
Species of MetaboliteComponentSourceComments
Omphalotus olearius (ncbitaxon:72120) - DOI (10.1016/s0040-4020(98)00209-9)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Omphalotin B (CHEBI:220728) is a oligopeptide (CHEBI:25676)
IUPAC Name 
[(2S,3R)-3-[(1S,4S,7S,10S,13S,19S,22S,25R,28S,45R)-7,31-bis[(2S)-butan-2-yl]-25,45-dihydroxy-19-(2-hydroxypropan-2-yl)-3,9,12,15,18,21,24,30,33-nonamethyl-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-4,10,13,28-tetra(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33,36,38-tridecazatetracyclo[34.10.0.037,45.039,44]hexatetraconta-39,41,43-trien-22-yl]butan-2-yl] 3-hydroxy-3-methylbutanoate
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