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CHEBI:191052 - Kendomycin

Default Structure
ChEBI IDCHEBI:191052
ChEBI NameKendomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O6
Net Charge0
Average Mass486.649
Monoisotopic Mass486.29814
SMILES[H][C@]12CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@H](C)[C@@]3(O)C=C4C(=C(C)C(=O)C(O)=C4[C@]([H])(O1)[C@H](C)[C@@H](O)[C@H]2C)O3
InChIInChI=1S/C29H42O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,13-14,16-19,22,24,28,30,32-33H,8-9,11-12H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,22+,24-,28+,29+/m0/s1
InChIKeyHKLDUJXJTQJSEJ-OLXNOMCWSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Kendomycin (CHEBI:191052) is a benzofurans (CHEBI:35259)
IUPAC Name 
(1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9,21-trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one
Manual XrefsDatabases
4582118ChemSpider