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CHEBI:204934 - MLR-52

ChEBI IDCHEBI:204934
ChEBI NameMLR-52
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H23N3O5
Net Charge0
Average Mass469.497
Monoisotopic Mass469.16377
SMILESCO[C@H]1[C@H](O)[C@H](O)[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIInChI=1S/C27H23N3O5/c1-27-24(34-2)22(31)23(32)26(35-27)29-15-9-5-3-7-12(15)18-19-14(11-28-25(19)33)17-13-8-4-6-10-16(13)30(27)21(17)20(18)29/h3-10,22-24,26,31-32H,11H2,1-2H3,(H,28,33)/t22-,23+,24+,26+,27-/m1/s1
InChIKeyCCOPBVQTBWBCIK-IKERNBKFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7802863)
ChEBI Ontology
Outgoing Relation(s)
MLR-52 (CHEBI:204934) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
(2R,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
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167223ChemSpider