EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169761 - Antibiotic X 14889D

Default Structure
ChEBI IDCHEBI:169761
ChEBI NameAntibiotic X 14889D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H58O7
Net Charge0
Average Mass566.820
Monoisotopic Mass566.41825
SMILESCCC(C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C)C1OC(C)(C23OC(C)C(CC)(CC2C)O3)CC1C
InChIInChI=1S/C33H58O7/c1-12-25(27(35)22(8)26(34)23(9)28-18(4)15-20(6)32(36,14-3)39-28)29-19(5)16-30(11,38-29)33-21(7)17-31(13-2,40-33)24(10)37-33/h18-26,28-29,34,36H,12-17H2,1-11H3
InChIKeyHTVYQCLJTJPTPF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Antibiotic X 14889D (CHEBI:169761) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
3-[5-(4-ethyl-3,6-dimethyl-2,7-dioxabicyclo[2.2.1]heptan-1-yl)-3,5-dimethyloxolan-2-yl]-7-(6-ethyl-6-hydroxy-3,5-dimethyloxan-2-yl)-6-hydroxy-5-methyloctan-4-one
Manual XrefsDatabases
35013592ChemSpider
HMDB0033334HMDB