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CHEBI:208487 - Stephacidin B

ChEBI IDCHEBI:208487
ChEBI NameStephacidin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H54N6O8
Net Charge0
Average Mass891.038
Monoisotopic Mass890.40031
SMILESCC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C(C)(C)[C@@H]4CC56CCCN5C(=O)C4(NC6=O)[C@H]4N5C(=O)[C@@]67CCCN6C(=O)[C@@]56[C@H](c5c(n(O)c8c9c(ccc58)OC(C)(C)C=C9)C(C)(C)[C@@H]6C7)[C@]234)O1
InChIInChI=1S/C52H54N6O8/c1-44(2)19-15-25-29(65-44)13-11-27-33-36-50-28-12-14-30-26(16-20-45(3,4)66-30)35(28)58(64)38(50)47(7,8)31-23-48-17-9-21-54(48)42(61)51(31,53-40(48)59)39(50)56-41(60)49-18-10-22-55(49)43(62)52(36,56)32(24-49)46(5,6)37(33)57(63)34(25)27/h11-16,19-20,31-32,36,39,63H,9-10,17-18,21-24H2,1-8H3,(H,53,59)/t31-,32-,36+,39-,48?,49-,50-,51?,52+/m0/s1
InChIKeyZKJYVORSURCOMD-QBNZUCBRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) - PubMed (12465964)
ChEBI Ontology
Outgoing Relation(s)
Stephacidin B (CHEBI:208487) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
(1R,2S,4R,10S,12S,27R,28S,42S)-15-hydroxy-13,13,20,20,34,34,41,41-octamethyl-39-oxido-21,33-dioxa-3,6,15,48,50-pentaza-39-azoniapentadecacyclo[42.5.2.13,10.01,42.02,28.04,12.04,27.06,10.014,26.016,25.017,22.028,40.029,38.032,37.044,48]dopentaconta-14(26),16(25),17(22),18,23,29(38),30,32(37),35,39-decaene-5,49,51,52-tetrone