CHEBI:198343 - AT2433-B3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name AT2433-B3
ChEBI ID CHEBI:198343
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H25N3O7
Net Charge 0
Average Mass 515.522
Monoisotopic Mass 515.16925
InChI InChI=1S/C28H25N3O7/c1-30-26(35)19-17-12-7-3-5-9-14(12)29-21(17)22-18(20(19)27(30)36)13-8-4-6-10-15(13)31(22)28-24(34)23(33)25(37-2)16(11-32)38-28/h3-10,16,23-25,28-29,32-34H,11H2,1-2H3/t16-,23-,24-,25-,28-/m1/s1
InChIKey DCJDTHHXEQWNBO-KWHOMZPESA-N
SMILES O=C1N(C(=O)C2=C1C3=C(N([C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO)C5=C3C=CC=C5)C6=C2C7=C(C=CC=C7)N6)C
Metabolite of Species Details
Actinomadura (NCBI:txid1988) See: PubMed
ChEBI Ontology
Outgoing AT2433-B3 (CHEBI:198343) is a indolocarbazole (CHEBI:51915)
IUPAC Name
3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
Manual Xref Database
8657028 ChemSpider
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