EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:218365 - Arenimycin B

ChEBI IDCHEBI:218365
ChEBI NameArenimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H48N2O15
Net Charge0
Average Mass808.834
Monoisotopic Mass808.30547
SMILESCOC(=O)c1c(C)cc2c(c1O)[C@@]1(O)C(=O)c3cc4c(c(O)c3C(=O)[C@@]1(OC)CC2)C(=O)C=C(N[C@H]1O[C@@H](C)[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](O)[C@H]1OC)C4=O
InChIInChI=1S/C41H48N2O15/c1-16-13-19-11-12-40(55-8)37(50)28-21(36(49)41(40,52)29(19)32(47)26(16)39(51)54-7)14-20-27(31(28)46)24(44)15-22(30(20)45)42-38-35(53-6)33(48)34(18(3)57-38)58-25-10-9-23(43(4)5)17(2)56-25/h13-15,17-18,23,25,33-35,38,42,46-48,52H,9-12H2,1-8H3/t17-,18-,23-,25+,33-,34-,35+,38-,40-,41+/m0/s1
InChIKeyGKWSTXDESFGCFI-JCWQUROISA-N
Species of MetaboliteComponentSourceComments
Salinispora (ncbitaxon:168694) - PubMed (24191063)
ChEBI Ontology
Outgoing Relation(s)
Arenimycin B (CHEBI:218365) is a quinone (CHEBI:36141)
Arenimycin B (CHEBI:218365) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (6aR,14aS)-11-[[(2S,3R,4S,5R,6S)-5-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-3-methoxy-6-methyloxan-2-yl]amino]-1,8,14a-trihydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate
Manual XrefsDatabases
78442795ChemSpider