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CHEBI:216580 - 13R,3beta,19-dihydroxylabda-8(17),11E-dien-16,15-olide

ChEBI IDCHEBI:216580
ChEBI Name13R,3beta,19-dihydroxylabda-8(17),11E-dien-16,15-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC=C1CC[C@@H]2[C@](C)(CC[C@H](O)[C@]2(C)CO)[C@H]1/C=C/[C@H]1CCOC1=O
InChIInChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,14-17,21-22H,1,4,7-12H2,2-3H3/b6-5+/t14-,15-,16+,17-,19+,20+/m0/s1
InChIKeyOIUNBCUWBQRQCS-PYSHZAFHSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - PubMed (16643055)
ChEBI Ontology
Outgoing Relation(s)
13R,3beta,19-dihydroxylabda-8(17),11E-dien-16,15-olide (CHEBI:216580) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(3R)-3-[(E)-2-[(1S,4aR,5S,6S,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]oxolan-2-one
Manual XrefsDatabases
9813308ChemSpider