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CHEBI:199442 - Waikialoid B

ChEBI IDCHEBI:199442
ChEBI NameWaikialoid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H54N6O9
Net Charge0
Average Mass907.037
Monoisotopic Mass906.39523
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)C5=[N+]([O-])c7c(ccc8c7C=CC(C)(C)O8)[C@]5(O)[C@@H]6C234)O1
InChIInChI=1S/C52H54N6O9/c1-43(2)19-15-25-29(66-43)13-11-27-33(25)57(64)36-45(5,6)31-23-47-17-9-21-54(47)41(61)50(31,53-39(47)59)38-49(27,36)35-51-32(24-48(40(60)56(38)51)18-10-22-55(48)42(51)62)46(7,8)37-52(35,63)28-12-14-30-26(34(28)58(37)65)16-20-44(3,4)67-30/h11-16,19-20,31-32,35,38,63H,9-10,17-18,21-24H2,1-8H3,(H,53,59)/t31?,32?,35-,38+,47+,48-,49?,50?,51?,52+/m1/s1
InChIKeyWMVPIWNYGIBPQV-BRNHVWTHSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (22400916)
ChEBI Ontology
Outgoing Relation(s)
Waikialoid B (CHEBI:199442) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
(2S,10R,26R,27R,44S)-26-hydroxy-13,13,20,20,34,34,41,41-octamethyl-15,39-dioxido-21,33-dioxa-3,6,48,50-tetraza-15,39-diazoniapentadecacyclo[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-14,16(25),17(22),18,23,29(38),30,32(37),35,39-decaene-5,49,51,52-tetrone
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