CHEBI:224547 - Monacyclinone K

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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 Monacyclinone K
ChEBI ID CHEBI:224547
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H33NO9
Net Charge 0
Average Mass 515.559
Monoisotopic Mass 515.21553
InChI InChI=1S/C27H33NO9/c1-13-16(28(3)4)7-8-17(36-13)14-5-6-15-19(20(14)30)22(32)25(34)10-9-24(33)12-23(2)11-18(29)26(24,35)27(25,37-23)21(15)31/h5-6,13,16-17,30,33-35H,7-12H2,1-4H3/t13-,16-,17+,23-,24+,25-,26-,27-/m0/s1
InChIKey NBEAOWWLYZCVPB-FBCFQUMWSA-N
SMILES O=C1C2=C(C(O)=C([C@@H]3O[C@H]([C@@H](N(C)C)CC3)C)C=C2)C(=O)[C@@]4([C@@]15O[C@]6(CC([C@]5(O)[C@@](O)(CC4)C6)=O)C)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Monacyclinone K (CHEBI:224547) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
(1S,10R,13R,15R,18S)-6-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-7,10,13,18-tetrahydroxy-15-methyl-19-oxapentacyclo[13.3.1.01,10.03,8.013,18]nonadeca-3(8),4,6-triene-2,9,17-trione
Manual Xref Database
93570503 ChemSpider
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