CHEBI:213270 - Isokibdelone A alpha-rhamnoside

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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 Isokibdelone A alpha-rhamnoside
ChEBI ID CHEBI:213270
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H34ClNO14
Net Charge 0
Average Mass 728.100
Monoisotopic Mass 727.16678
InChI InChI=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
InChIKey FTYRBFHXXGJYJI-BQKZIZRYSA-N
SMILES ClC=1C=2C(=O)C3=C(C4=C5OC6=C([C@@H](O)[C@@H](O[C@H]7O[C@@H]([C@@H](O)[C@@H]([C@@H]7O)O)C)C[C@@H]6O)C(C5=C(O)C(=C4C=C3)OC)=O)C(C2C(=O)N(C1CCC)C)=O
Metabolite of Species Details
Kibdelosporangiumspecies (NCBI:txid1871182) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
10167078 ChemSpider
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