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CHEBI:197961 - Roseorubicin B

ChEBI IDCHEBI:197961
ChEBI NameRoseorubicin B
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SubmitterMetaboLights
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FormulaC36H48N2O11
Net Charge0
Average Mass684.783
Monoisotopic Mass684.32581
SMILESCCC1(O)CCc2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CC(N(C)C)C(O)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C36H48N2O11/c1-8-36(45)13-12-19-26(33(44)28-27(31(19)42)32(43)25-18(30(28)41)10-9-11-22(25)39)35(36)49-24-15-21(38(6)7)34(17(3)47-24)48-23-14-20(37(4)5)29(40)16(2)46-23/h9-11,16-17,20-21,23-24,29,34-35,39-40,42,44-45H,8,12-15H2,1-7H3
InChIKeyARWQKOSWMQNCLS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (468727)
ChEBI Ontology
Outgoing Relation(s)
Roseorubicin B (CHEBI:197961) is a quinone (CHEBI:36141)
Roseorubicin B (CHEBI:197961) is a tetracenes (CHEBI:51270)
IUPAC Name 
10-[4-(dimethylamino)-5-[4-(dimethylamino)-5-hydroxy-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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