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CHEBI:197642 - Ushikulide A

ChEBI IDCHEBI:197642
ChEBI NameUshikulide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H68O10
Net Charge0
Average Mass708.974
Monoisotopic Mass708.48125
SMILESCCC(O)CC1OC2(CCC1C)CC1OC(=O)/C=C\C(C)C(O)C(C)C(O)CC(O)C(C)(O)CCC/C=C\C(CC(C)C)C(=O)CC(O2)C1C
InChIInChI=1S/C40H68O10/c1-9-30(41)20-33-25(4)16-18-40(49-33)23-35-28(7)34(50-40)21-32(43)29(19-24(2)3)13-11-10-12-17-39(8,47)36(44)22-31(42)27(6)38(46)26(5)14-15-37(45)48-35/h11,13-15,24-31,33-36,38,41-42,44,46-47H,9-10,12,16-23H2,1-8H3/b13-11-,15-14-
InChIKeySBOPLQKQLAXMJW-WABAVOORSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1038/ja.2005.55)
ChEBI Ontology
Outgoing Relation(s)
Ushikulide A (CHEBI:197642) is a macrolide (CHEBI:25106)
IUPAC Name 
(4Z,16Z)-7,9,11,12-tetrahydroxy-6'-(2-hydroxybutyl)-5',6,8,12,25-pentamethyl-18-(2-methylpropyl)spiro[2,22-dioxabicyclo[19.3.1]pentacosa-4,16-diene-23,2'-oxane]-3,19-dione
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28282864ChemSpider