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CHEBI:205171 - Histomodulin

ChEBI IDCHEBI:205171
ChEBI NameHistomodulin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O15
Net Charge0
Average Mass604.517
Monoisotopic Mass604.14282
SMILESCC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(OC2OC(C(=O)O)C(O)C(O)C2O)c1C3=O
InChIInChI=1S/C28H28O15/c1-3-28(40)7-9(29)12-13(16(28)26(39)41-2)20(33)14-15(19(12)32)18(31)11-8(17(14)30)5-4-6-10(11)42-27-23(36)21(34)22(35)24(43-27)25(37)38/h4-6,9,16,21-24,27,29,32-36,40H,3,7H2,1-2H3,(H,37,38)/t9-,16-,21?,22?,23?,24?,27?,28+/m0/s1
InChIKeyBHRAFQOREFGNGL-GIIQRTMXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces ruber (ncbitaxon:83378) - PubMed (9531993)
ChEBI Ontology
Outgoing Relation(s)
Histomodulin (CHEBI:205171) is a quinone (CHEBI:36141)
Histomodulin (CHEBI:205171) is a tetracenes (CHEBI:51270)
IUPAC Name 
6-[[(7R,8R,10S)-8-ethyl-6,8,10,11-tetrahydroxy-7-methoxycarbonyl-5,12-dioxo-9,10-dihydro-7H-tetracen-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
78445140ChemSpider