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CHEBI:224458 - Obelmycin F

Default Structure
ChEBI IDCHEBI:224458
ChEBI NameObelmycin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H53NO15
Net Charge0
Average Mass787.856
Monoisotopic Mass787.34152
SMILESCC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O[C@H]1C[C@H](N(C)C)[C@@H](O[C@H]2C[C@@H](O)[C@H](O[C@H]4CC[C@H](O)[C@H](C)O4)[C@@H](C)O2)[C@@H](C)O1)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C40H53NO15/c1-7-40(50)13-12-19-28(34(47)32-31(33(19)46)35(48)29-22(43)8-9-23(44)30(29)36(32)49)39(40)56-26-14-20(41(5)6)37(17(3)52-26)55-27-15-24(45)38(18(4)53-27)54-25-11-10-21(42)16(2)51-25/h8-9,16-18,20-21,24-27,37-39,42-47,50H,7,10-15H2,1-6H3/t16-,17+,18+,20-,21-,24+,25-,26-,27-,37-,38+,39+,40+/m0/s1
InChIKeyHLNBIKIAALFYJX-ZSBWRXPGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceus (ncbitaxon:1936) - PubMed (1955394)
ChEBI Ontology
Outgoing Relation(s)
Obelmycin F (CHEBI:224458) is a quinone (CHEBI:36141)
Obelmycin F (CHEBI:224458) is a tetracenes (CHEBI:51270)
IUPAC Name 
(9R,10R)-10-[(2S,4S,5R,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6R)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78443206ChemSpider