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CHEBI:216434 - Amicenomycin B

ChEBI IDCHEBI:216434
ChEBI NameAmicenomycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H56O16
Net Charge0
Average Mass828.905
Monoisotopic Mass828.35684
SMILESCC1OC(OC2CCC(OC3CCC(OC(C)(CC(=O)O)Cc4ccc5c(c4O)C(=O)c4ccc(C6CC(O)C(O)C(C)O6)c(O)c4C5=O)OC3C)OC2C)CCC1O
InChIInChI=1S/C43H56O16/c1-19-27(44)10-13-33(54-19)57-29-11-14-34(55-20(29)2)58-30-12-15-35(56-21(30)3)59-43(5,18-32(46)47)17-23-6-7-25-36(39(23)49)41(51)26-9-8-24(40(50)37(26)42(25)52)31-16-28(45)38(48)22(4)53-31/h6-9,19-22,27-31,33-35,38,44-45,48-50H,10-18H2,1-5H3,(H,46,47)
InChIKeyHBKJFRPYXFXSQO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8557616)
ChEBI Ontology
Outgoing Relation(s)
Amicenomycin B (CHEBI:216434) is a anthraquinone (CHEBI:22580)
IUPAC Name 
4-[6-(4,5-dihydroxy-6-methyloxan-2-yl)-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-[5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methylbutanoic acid
Manual XrefsDatabases
78444179ChemSpider