CHEBI:199219 - Kigamicin 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 Kigamicin B
ChEBI ID CHEBI:199219
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H45NO15
Net Charge 0
Average Mass 779.792
Monoisotopic Mass 779.27892
InChI InChI=1S/C40H45NO15/c1-15-19(42)4-6-24(52-15)54-21-5-7-25(53-16(21)2)55-23-12-20(43)28-34(46)31-35(47)30-26-17(10-18-13-40(3)41(8-9-51-40)39(48)27(18)33(26)45)11-22-29(30)37(50-14-49-22)38(31)56-36(28)32(23)44/h10,15-16,19-25,32,42-45,47H,4-9,11-14H2,1-3H3
InChIKey ZDEHLGNKHHJJAC-UHFFFAOYSA-N
SMILES O=C1N2C(OCC2)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)C(OC8OC(C(OC9OC(C(O)CC9)C)CC8)C)CC7O)OC6C%10=C5C(OCO%10)CC4C3)C
Metabolite of Species Details
Amycolatopsis (NCBI:txid1813) See: PubMed
ChEBI Ontology
Outgoing Kigamicin B (CHEBI:199219) is a xanthones (CHEBI:51149)
IUPAC Name
2,6,9,30-tetrahydroxy-8-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-23-methyl-11,14,16,24-tetraoxa-27-azaoctacyclo[15.14.1.03,12.05,10.013,32.019,31.021,29.023,27]dotriaconta-1(32),2,5(10),12,19,21(29),30-heptaene-4,28-dione
Manual Xref Database
8593215 ChemSpider
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