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CHEBI:199184 - TMC-66

ChEBI IDCHEBI:199184
ChEBI NameTMC-66
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H21NO9
Net Charge0
Average Mass527.485
Monoisotopic Mass527.12163
SMILESC[C@@]12Cc3cc4c(c(O)c3C(=O)N1[C@@H](C(=O)O)CO2)-c1c(cc2c(c1O)C(=O)c1cccc(O)c1C2=O)CC4
InChIInChI=1S/C29H21NO9/c1-29-9-13-7-11-5-6-12-8-15-22(23(32)14-3-2-4-17(31)21(14)24(15)33)26(35)19(12)18(11)25(34)20(13)27(36)30(29)16(10-39-29)28(37)38/h2-4,7-8,16,31,34-35H,5-6,9-10H2,1H3,(H,37,38)/t16-,29-/m1/s1
InChIKeyIBUAONLWVYWMIS-HYDGNGQDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10513839)
ChEBI Ontology
Outgoing Relation(s)
TMC-66 (CHEBI:199184) is a quinone (CHEBI:36141)
TMC-66 (CHEBI:199184) is a tetracenes (CHEBI:51270)
IUPAC Name 
(7R,10R)-3,22,29-trihydroxy-10-methyl-5,20,27-trioxo-9-oxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(29),2,4(12),13,17,19(28),21(26),22,24-nonaene-7-carboxylic acid
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8967556ChemSpider