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CHEBI:205703 - TAN-1518 A

ChEBI IDCHEBI:205703
ChEBI NameTAN-1518 A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H41NO15
Net Charge0
Average Mass763.749
Monoisotopic Mass763.24762
SMILESC/C=C(/C)C(=O)OC1C(O)CC(c2ccc3c(c2O)C(O)=C2C(=O)C4(O)C(O)=C(C(N)=O)C(=O)C(OC(=O)c5ccccc5O)C4CC2C3(C)OC)OC1C
InChIInChI=1S/C39H41NO15/c1-6-15(2)36(49)54-31-16(3)53-24(14-23(31)42)18-11-12-19-25(28(18)43)29(44)26-20(38(19,4)52-5)13-21-32(55-37(50)17-9-7-8-10-22(17)41)30(45)27(35(40)48)34(47)39(21,51)33(26)46/h6-12,16,20-21,23-24,31-32,41-44,47,51H,13-14H2,1-5H3,(H2,40,48)/b15-6-
InChIKeySNWJINGOFNDVIF-UUASQNMZSA-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 A (CHEBI:205703) is a tetracyclines (CHEBI:26895)
IUPAC Name 
[3-carbamoyl-4,4a,6,7-tetrahydroxy-8-[4-hydroxy-6-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]-11-methoxy-11-methyl-2,5-dioxo-1,11a,12,12a-tetrahydrotetracen-1-yl] 2-hydroxybenzoate
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78444842ChemSpider