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CHEBI:222376 - Benzanthrin B

ChEBI IDCHEBI:222376
ChEBI NameBenzanthrin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H42N2O9
Net Charge0
Average Mass634.726
Monoisotopic Mass634.28903
SMILESCc1cc2cc(O)c3c(c2c(O[C@@H]2C[C@H](N(C)C)[C@H](O)[C@@H](C)O2)c1[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](C)O1)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C35H42N2O9/c1-15-11-18-12-23(39)29-30(33(42)19-9-8-10-22(38)28(19)34(29)43)27(18)35(46-25-14-21(37(6)7)32(41)17(3)45-25)26(15)24-13-20(36(4)5)31(40)16(2)44-24/h8-12,16-17,20-21,24-25,31-32,38-41H,13-14H2,1-7H3/t16-,17+,20-,21-,24-,25+,31-,32+/m0/s1
InChIKeyLEUWPSNVHJODDS-QBRKSFOBSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (3793620)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Benzanthrin B (CHEBI:222376) is a angucycline (CHEBI:48130)
IUPAC Name 
2-[(2S,4S,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-1-[(2R,4S,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
78443004ChemSpider