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CHEBI:188436 - Antibiotic CJ 15544

ChEBI IDCHEBI:188436
ChEBI NameAntibiotic CJ 15544
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILESCC(C)C1=C2C3CC=C4C(O)C5(O)COC6OC(C4C6(O)C5=O)C3(C)CCC2(C)CC1
InChIInChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-19,21,26,28-29H,6-11H2,1-4H3
InChIKeyYHVXQLPNJVSDTP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS3886)
ChEBI Ontology
Outgoing Relation(s)
Antibiotic CJ 15544 (CHEBI:188436) is a diterpenoid (CHEBI:23849)
IUPAC Name 
18,20,22-trihydroxy-9,12-dimethyl-6-propan-2-yl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-dien-19-one
Manual XrefsDatabases
HMDB0033080HMDB
35013543ChemSpider