CHEBI:204573 - TAN-1518 B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name TAN-1518 B
ChEBI ID CHEBI:204573
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H45NO15
Net Charge 0
Average Mass 791.803
Monoisotopic Mass 791.27892
InChI InChI=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-
InChIKey IAVBEZSSGOGPSI-WSVATBPTSA-N
SMILES O=C1C2=C(O)C3=C(O)C(=CC=C3C(C2CC4C1(OC)C(O)=C(C(=O)C4OC(=O)C5=C(O)C=CC=C5)C(=O)N)(OC)C)C6OC(C(OC(=O)/C(=C\C)/CC)C(C6)O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via tetracyclines )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
78444803 ChemSpider
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