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CHEBI:226359 - Tetracenoquinocin A

ChEBI IDCHEBI:226359
ChEBI NameTetracenoquinocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32O13
Net Charge0
Average Mass612.584
Monoisotopic Mass612.18429
SMILESCc1cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c2c(O)c3c(cc2c1)C(=O)c1cccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c1C3=O
InChIInChI=1S/C31H32O13/c1-10-7-13-9-15-20(24(35)18(13)17(8-10)44-31-29(40)27(38)22(33)12(3)42-31)25(36)19-14(23(15)34)5-4-6-16(19)43-30-28(39)26(37)21(32)11(2)41-30/h4-9,11-12,21-22,26-33,35,37-40H,1-3H3/t11-,12-,21-,22-,26+,27+,28+,29+,30-,31-/m0/s1
InChIKeyNGTHZATYEPAYAH-CUSBNYBGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies NEAU-L3 (ncbitaxon:1031325) - PubMed (28811620)
ChEBI Ontology
Outgoing Relation(s)
Tetracenoquinocin A (CHEBI:226359) is a quinone (CHEBI:36141)
Tetracenoquinocin A (CHEBI:226359) is a tetracenes (CHEBI:51270)
IUPAC Name 
11-hydroxy-8-methyl-1,10-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]tetracene-5,12-dione
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