EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220311 - 3-hydroxy-19,22-dimethoxy-7-methyl-10-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-6,17-dioxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,9,12,16(25),18,20,22-nonaene-5,15,24,26-tetrone

ChEBI IDCHEBI:220311
ChEBI Name3-hydroxy-19,22-dimethoxy-7-methyl-10-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-6,17-dioxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,9,12,16(25),18,20,22-nonaene-5,15,24,26-tetrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H34O14
Net Charge0
Average Mass690.654
Monoisotopic Mass690.19486
SMILESCOc1ccc(OC)c2c(=O)c3c(oc12)C(=O)c1ccc2c(OC4OC(C)C(OC)C(OC)C4OC)c4c(c(O)c2c1C3=O)C(=O)OC(C)C4
InChIInChI=1S/C36H34O14/c1-13-12-17-22(35(41)47-13)26(38)21-16(30(17)50-36-34(46-7)33(45-6)29(44-5)14(2)48-36)9-8-15-20(21)27(39)24-28(40)23-18(42-3)10-11-19(43-4)31(23)49-32(24)25(15)37/h8-11,13-14,29,33-34,36,38H,12H2,1-7H3
InChIKeyCQLYGPZACBJXSX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinomaduraspecies (ncbitaxon:1989) - PubMed (12760677)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-19,22-dimethoxy-7-methyl-10-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-6,17-dioxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,9,12,16(25),18,20,22-nonaene-5,15,24,26-tetrone (CHEBI:220311) is a benzochromenone (CHEBI:64986)
3-hydroxy-19,22-dimethoxy-7-methyl-10-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-6,17-dioxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,9,12,16(25),18,20,22-nonaene-5,15,24,26-tetrone (CHEBI:220311) is a glycoside (CHEBI:24400)
IUPAC Name 
3-hydroxy-19,22-dimethoxy-7-methyl-10-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-6,17-dioxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,9,12,16(25),18,20,22-nonaene-5,15,24,26-tetrone
Manual XrefsDatabases
8093653ChemSpider