CHEBI:205917 - Cosmomycin 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 Cosmomycin B
ChEBI ID CHEBI:205917
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H53NO14
Net Charge 0
Average Mass 771.857
Monoisotopic Mass 771.34661
InChI InChI=1S/C40H53NO14/c1-7-40(49)14-13-21-30(36(48)32-31(34(21)46)35(47)29-20(33(32)45)9-8-10-24(29)43)39(40)55-27-15-22(41(5)6)37(18(3)51-27)54-28-16-25(44)38(19(4)52-28)53-26-12-11-23(42)17(2)50-26/h8-10,17-19,22-23,25-28,37-39,42-44,46,48-49H,7,11-16H2,1-6H3/t17-,18-,19-,22-,23-,25-,26-,27-,28-,37+,38+,39+,40+/m0/s1
InChIKey MYQIMJTUIOIEOX-LVWNLLCFSA-N
SMILES O=C1C2=C(O)C3=C([C@@H](O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)CC6)C)[C@H](C5)O)C)[C@H](C4)N(C)C)C)[C@@](O)(CC)CC3)C(=C2C(=O)C=7C1=C(O)C=CC7)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing Cosmomycin B (CHEBI:205917) is a quinone (CHEBI:36141)
Cosmomycin B (CHEBI:205917) is a tetracenes (CHEBI:51270)
Manual Xref Database
138140 ChemSpider
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