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CHEBI:209718 - Cosmomycin A

ChEBI IDCHEBI:209718
ChEBI NameCosmomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H53NO13
Net Charge0
Average Mass755.858
Monoisotopic Mass755.35169
SMILESCC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O[C@H]1C[C@H](N(C)C)[C@H](O[C@H]2CC[C@H](O[C@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O2)[C@H](C)O1)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C40H53NO13/c1-7-40(48)16-15-22-31(37(47)33-32(35(22)45)36(46)30-21(34(33)44)9-8-10-25(30)43)39(40)54-29-17-23(41(5)6)38(20(4)51-29)53-28-14-12-26(19(3)50-28)52-27-13-11-24(42)18(2)49-27/h8-10,18-20,23-24,26-29,38-39,42-43,45,47-48H,7,11-17H2,1-6H3/t18-,19-,20-,23-,24-,26-,27-,28-,29-,38+,39+,40+/m0/s1
InChIKeyHBOXKYFBCPFWOK-RIYWTIGOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1080/00021369.1985.10866879)
ChEBI Ontology
Outgoing Relation(s)
Cosmomycin A (CHEBI:209718) is a quinone (CHEBI:36141)
Cosmomycin A (CHEBI:209718) is a tetracenes (CHEBI:51270)
IUPAC Name 
(9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
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