CHEBI:220202 - SF2575

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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 SF2575
ChEBI ID CHEBI:220202
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H43NO15
Net Charge 0
Average Mass 777.776
Monoisotopic Mass 777.26327
InChI InChI=1S/C40H43NO15/c1-7-16(2)37(50)55-32-17(3)54-25(15-24(32)43)19-12-13-20-26(29(19)44)30(45)27-21(39(20,4)52-5)14-22-33(56-38(51)18-10-8-9-11-23(18)42)31(46)28(36(41)49)35(48)40(22,53-6)34(27)47/h7-13,17,21-22,24-25,32-33,42-45,48H,14-15H2,1-6H3,(H2,41,49)/b16-7+
InChIKey WYRYRHFKSQKGHJ-FRKPEAEDSA-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)/C)C(C6)O)C
Metabolite of Species Details
Streptomycesspecies SF2575 (NCBI:txid746675) 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 )
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ChEBI Ontology
Outgoing SF2575 (CHEBI:220202) is a tetracyclines (CHEBI:26895)
IUPAC Name
[3-carbamoyl-4,6,7-trihydroxy-8-[4-hydroxy-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]-4a,11-dimethoxy-11-methyl-2,5-dioxo-1,11a,12,12a-tetrahydrotetracen-1-yl] 2-hydroxybenzoate
Manual Xref Database
78444440 ChemSpider
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