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CHEBI:207238 - Waikialoid A

ChEBI IDCHEBI:207238
ChEBI NameWaikialoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H54N6O7
Net Charge0
Average Mass875.039
Monoisotopic Mass874.40540
SMILESCC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C(C)(C)C4C[C@]56CCCN5C(=O)C4(NC6=O)[C@H]4N5C(=O)[C@]67CCCN6C(=O)C56C(C7)C(C)(C)c5nc7c8c(ccc7c5[C@@H]6C234)OC(C)(C)C=C8)O1
InChIInChI=1S/C52H54N6O7/c1-44(2)19-15-25-29(64-44)13-11-27-33-36-50-28-12-14-30-26(16-20-45(3,4)65-30)35(28)58(63)38(50)47(7,8)31-23-48-17-9-21-55(48)42(61)51(31,54-40(48)59)39(50)57-41(60)49-18-10-22-56(49)43(62)52(36,57)32(24-49)46(5,6)37(33)53-34(25)27/h11-16,19-20,31-32,36,39,53H,9-10,17-18,21-24H2,1-8H3,(H,54,59)/t31?,32?,36-,39+,48+,49-,50?,51?,52?/m1/s1
InChIKeyWZHCMAFZIFECCV-LYUUMHETSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (22400916)
ChEBI Ontology
Outgoing Relation(s)
Waikialoid A (CHEBI:207238) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
(2S,10R,27R,44S)-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
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