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CHEBI:172759 - Antibiotic X 14889A

ChEBI IDCHEBI:172759
ChEBI NameAntibiotic X 14889A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H60O8
Net Charge0
Average Mass584.835
Monoisotopic Mass584.42882
SMILESCCC(C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C)C1OC(C)(C2(O)OC(CC)(C(C)O)CC2C)CC1C
InChIInChI=1S/C33H60O8/c1-12-25(27(36)22(8)26(35)23(9)28-18(4)15-20(6)32(37,14-3)40-28)29-19(5)16-30(11,39-29)33(38)21(7)17-31(13-2,41-33)24(10)34/h18-26,28-29,34-35,37-38H,12-17H2,1-11H3
InChIKeyCQTXDSXQPBLXND-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Antibiotic X 14889A (CHEBI:172759) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
7-(6-ethyl-6-hydroxy-3,5-dimethyloxan-2-yl)-3-[5-[5-ethyl-2-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-6-hydroxy-5-methyloctan-4-one
Manual XrefsDatabases
35013594ChemSpider
HMDB0033336HMDB