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CHEBI:224440 - Alldimycin C

ChEBI IDCHEBI:224440
ChEBI NameAlldimycin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO10
Net Charge0
Average Mass543.569
Monoisotopic Mass543.21045
SMILESCC[C@@]1(O)C[C@H](O)c2cc3c(c(O)c2[C@H]1O[C@H]1C[C@H](N(C)C)[C@H](O)[C@H](C)O1)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C28H33NO10/c1-5-28(37)10-17(32)12-8-13-19(26(36)22-16(31)7-6-15(30)21(22)24(13)34)25(35)20(12)27(28)39-18-9-14(29(3)4)23(33)11(2)38-18/h6-8,11,14,17-18,23,27,30-33,35,37H,5,9-10H2,1-4H3/t11-,14-,17-,18-,23+,27+,28+/m0/s1
InChIKeyKCTUFQSEBNXSCY-QHRGAOIXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceus (ncbitaxon:1936) - PubMed (1955394)
ChEBI Ontology
Outgoing Relation(s)
Alldimycin C (CHEBI:224440) is a quinone (CHEBI:36141)
Alldimycin C (CHEBI:224440) is a tetracenes (CHEBI:51270)
IUPAC Name 
(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
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