CHEBI:197642 - Ushikulide A

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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 Ushikulide A
ChEBI ID CHEBI:197642
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H68O10
Net Charge 0
Average Mass 708.974
Monoisotopic Mass 708.48125
InChI InChI=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-
InChIKey SBOPLQKQLAXMJW-WABAVOORSA-N
SMILES O=C1OC2C(C(OC3(C2)OC(C(C)CC3)CC(O)CC)CC(=O)C(C=CCCCC(C(CC(C(C(C(C=C1)C)O)C)O)O)(O)C)CC(C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
28282864 ChemSpider
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