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CHEBI:204573 - TAN-1518 B

ChEBI IDCHEBI:204573
ChEBI NameTAN-1518 B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H45NO15
Net Charge0
Average Mass791.803
Monoisotopic Mass791.27892
SMILESC/C=C(/CC)C(=O)OC1C(O)CC(c2ccc3c(c2O)C(O)=C2C(=O)C4(OC)C(O)=C(C(N)=O)C(=O)C(OC(=O)c5ccccc5O)C4CC2C3(C)OC)OC1C
InChIInChI=1S/C41H45NO15/c1-7-18(8-2)38(51)56-33-17(3)55-26(16-25(33)44)20-13-14-21-27(30(20)45)31(46)28-22(40(21,4)53-5)15-23-34(57-39(52)19-11-9-10-12-24(19)43)32(47)29(37(42)50)36(49)41(23,54-6)35(28)48/h7,9-14,17,22-23,25-26,33-34,43-46,49H,8,15-16H2,1-6H3,(H2,42,50)/b18-7-
InChIKeyIAVBEZSSGOGPSI-WSVATBPTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8040052)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
TAN-1518 B (CHEBI:204573) is a tetracyclines (CHEBI:26895)
IUPAC Name 
[3-carbamoyl-8-[5-[(Z)-2-ethylbut-2-enoyl]oxy-4-hydroxy-6-methyloxan-2-yl]-4,6,7-trihydroxy-4a,11-dimethoxy-11-methyl-2,5-dioxo-1,11a,12,12a-tetrahydrotetracen-1-yl] 2-hydroxybenzoate
Manual XrefsDatabases
78444803ChemSpider