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CHEBI:209152 - 3-hydroxy-3'-N-acetylholyrine A

ChEBI IDCHEBI:209152
ChEBI Name3-hydroxy-3'-N-acetylholyrine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H26N4O5
Net Charge0
Average Mass498.539
Monoisotopic Mass498.19032
SMILESCC(=O)N[C@@H]1C[C@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6nc5c32)CNC4=O)O[C@@H](C)[C@@H]1O
InChIInChI=1S/C28H26N4O5/c1-12-27(35)19(30-13(2)33)10-21(37-12)32-20-8-7-14(34)9-16(20)23-24-17(11-29-28(24)36)22-15-5-3-4-6-18(15)31-25(22)26(23)32/h3-9,12,19,21,27,31,34-35H,10-11H2,1-2H3,(H,29,36)(H,30,33)/t12-,19+,21+,27-/m0/s1
InChIKeyYOELNZYRZIJSGB-FIHZCICZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29558119)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-3'-N-acetylholyrine A (CHEBI:209152) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
N-[(2S,3R,4R,6R)-3-hydroxy-6-(7-hydroxy-12-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-3-yl)-2-methyloxan-4-yl]acetamide
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