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CHEBI:221204 - Cytorhodin X

ChEBI IDCHEBI:221204
ChEBI NameCytorhodin X
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SubmitterMetaboLights
DownloadsMolfile
FormulaC48H68N2O15
Net Charge0
Average Mass913.071
Monoisotopic Mass912.46197
SMILESCC[C@@]1(O[C@H]2C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O2)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/C48H68N2O15/c1-10-48(65-36-20-28(49(6)7)41(53)24(4)60-36)19-18-27-38(45(57)40-39(43(27)55)44(56)37-26(42(40)54)12-11-13-31(37)52)47(48)64-35-21-29(50(8)9)46(25(5)61-35)63-34-17-15-32(23(3)59-34)62-33-16-14-30(51)22(2)58-33/h11-13,22-25,28-30,32-36,41,46-47,51-53,55,57H,10,14-21H2,1-9H3/t22-,23-,24+,25+,28+,29+,30+,32+,33+,34+,35-,36-,41-,46+,47-,48+/m0/s1
InChIKeyKHLMWLKHVMVXMW-RNTQAMEMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1399859)
ChEBI Ontology
Outgoing Relation(s)
Cytorhodin X (CHEBI:221204) is a quinone (CHEBI:36141)
Cytorhodin X (CHEBI:221204) is a tetracenes (CHEBI:51270)
IUPAC Name 
(9R,10S)-9-[(2S,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-10-[(2S,4R,5S,6R)-4-(dimethylamino)-5-[(2R,5R,6S)-5-[(2R,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
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78442904ChemSpider