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CHEBI:213270 - Isokibdelone A alpha-rhamnoside

ChEBI IDCHEBI:213270
ChEBI NameIsokibdelone A alpha-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H34ClNO14
Net Charge0
Average Mass728.103
Monoisotopic Mass727.16678
SMILESCCCc1c(Cl)c2c(c(=O)n1C)C(=O)c1c(ccc3c(OC)c(O)c4c(=O)c5c(oc4c13)[C@@H](O)C[C@H](O[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H]5O)C2=O
InChIInChI=1S/C35H34ClNO14/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)33-21(28(44)31(12)48-4)27(43)20-25(41)15(9-14(38)32(20)51-33)50-35-30(46)29(45)23(39)10(2)49-35/h7-8,10,14-15,23,25,29-30,35,38-39,41,44-46H,5-6,9H2,1-4H3/t10-,14+,15+,23-,25+,29+,30+,35-/m1/s1
InChIKeyFTYRBFHXXGJYJI-BQKZIZRYSA-N
Species of MetaboliteComponentSourceComments
Kibdelosporangiumspecies (ncbitaxon:1871182) - PubMed (17078694)
ChEBI Ontology
Outgoing Relation(s)
Isokibdelone A alpha-rhamnoside (CHEBI:213270) is a benzochromenone (CHEBI:64986)
Isokibdelone A alpha-rhamnoside (CHEBI:213270) is a glycoside (CHEBI:24400)
IUPAC Name 
(5S,7S,8R)-20-chloro-5,8,12-trihydroxy-13-methoxy-22-methyl-21-propyl-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-oxa-22-azahexacyclo[12.12.0.02,11.04,9.017,26.019,24]hexacosa-1(14),2(11),4(9),12,15,17(26),19(24),20-octaene-10,18,23,25-tetrone
Manual XrefsDatabases
10167078ChemSpider