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CHEBI:168308 - 2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide

ChEBI IDCHEBI:168308
ChEBI Name2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O5
Net Charge0
Average Mass278.304
Monoisotopic Mass278.11542
SMILESC=C1C(=O)OC2/C=C(/C)CC(O)/C=C(/C)C(=O)C(O)C12
InChIInChI=1S/C15H18O5/c1-7-4-10(16)6-8(2)13(17)14(18)12-9(3)15(19)20-11(12)5-7/h5-6,10-12,14,16,18H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyBPDUDXQLWXZOHB-SFECMWDFSA-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)
2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide (CHEBI:168308) is a germacranolide (CHEBI:73011)
IUPAC Name 
(6Z,10Z)-4,8-dihydroxy-6,10-dimethyl-3-methylidene-4,8,9,11a-tetrahydro-3aH-cyclodeca[b]uran-2,5-dione
Manual XrefsDatabases
HMDB0036662HMDB
35014184ChemSpider