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CHEBI:221282 - Kibdelone B rhamnoside

Default Structure
ChEBI IDCHEBI:221282
ChEBI NameKibdelone B rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H36ClNO14
Net Charge0
Average Mass730.119
Monoisotopic Mass729.18243
SMILESCCCc1c(Cl)c2c(c(=O)n1C)C(=O)C1=C(CCc3c1c(O)c1c(=O)c4c(oc1c3OC)[C@@H](O)C[C@H](O[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H]4O)C2=O
InChIInChI=1S/C35H36ClNO14/c1-5-6-13-22(36)18-19(34(47)37(13)3)26(42)16-11(24(18)40)7-8-12-17(16)27(43)21-28(44)20-25(41)15(9-14(38)32(20)51-33(21)31(12)48-4)50-35-30(46)29(45)23(39)10(2)49-35/h10,14-15,23,25,29-30,35,38-39,41,43,45-46H,5-9H2,1-4H3/t10-,14+,15+,23-,25+,29+,30+,35-/m1/s1
InChIKeyGNHBMFNCGFYQQR-BQKZIZRYSA-N
Species of MetaboliteComponentSourceComments
Kibdelosporangium (ncbitaxon:2029) - PubMed (17091523)
ChEBI Ontology
Outgoing Relation(s)
Kibdelone B rhamnoside (CHEBI:221282) is a benzochromenone (CHEBI:64986)
Kibdelone B rhamnoside (CHEBI:221282) is a glycoside (CHEBI:24400)
IUPAC Name 
(19S,21S,22R)-8-chloro-19,22,26-trihydroxy-15-methoxy-6-methyl-7-propyl-21-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-17-oxa-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),4(9),7,15,18(23),25-heptaene-3,5,10,24-tetrone
Manual XrefsDatabases
17267082ChemSpider