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CHEBI:206000 - 4,4a,11,12a-tetrahydroxy-3-methoxy-10-methyl-8-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4H-tetracene-1,5,12-trione

ChEBI IDCHEBI:206000
ChEBI Name4,4a,11,12a-tetrahydroxy-3-methoxy-10-methyl-8-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4H-tetracene-1,5,12-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O13
Net Charge0
Average Mass588.562
Monoisotopic Mass588.18429
SMILESCOC1=CC(=O)C2(O)C(=O)c3c(cc4cc(O[C@@H]5O[C@H](C)[C@@H](OC)[C@H](OC)[C@@H]5OC)cc(C)c4c3O)C(=O)C2(O)C1O
InChIInChI=1S/C29H32O13/c1-11-7-14(42-27-23(40-6)22(39-5)21(38-4)12(2)41-27)8-13-9-15-19(20(31)18(11)13)26(34)28(35)17(30)10-16(37-3)25(33)29(28,36)24(15)32/h7-10,12,21-23,25,27,31,33,35-36H,1-6H3/t12-,21-,22+,23+,25?,27+,28?,29?/m1/s1
InChIKeyYJAVYCWOHQXQFR-BDEZBQFBSA-N
Species of MetaboliteComponentSourceComments
Acinetobacterspecies (ncbitaxon:472) - PubMed (31117282)
ChEBI Ontology
Outgoing Relation(s)
4,4a,11,12a-tetrahydroxy-3-methoxy-10-methyl-8-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4H-tetracene-1,5,12-trione (CHEBI:206000) is a quinone (CHEBI:36141)
4,4a,11,12a-tetrahydroxy-3-methoxy-10-methyl-8-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4H-tetracene-1,5,12-trione (CHEBI:206000) is a tetracenes (CHEBI:51270)
IUPAC Name 
4,4a,11,12a-tetrahydroxy-3-methoxy-10-methyl-8-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4H-tetracene-1,5,12-trione