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CHEBI:185546 - (+)-18-Hydroxy-7,16-sacculatadiene-11,12-dial

Default Structure
ChEBI IDCHEBI:185546
ChEBI Name(+)-18-Hydroxy-7,16-sacculatadiene-11,12-dial
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILES[H][C@@]12CC=C(C=O)[C@H](C=O)[C@@]1(C)CCC[C@@]2(C)C/C=C/C(C)(C)O
InChIInChI=1S/C20H30O3/c1-18(2,23)9-5-10-19(3)11-6-12-20(4)16(14-22)15(13-21)7-8-17(19)20/h5,7,9,13-14,16-17,23H,6,8,10-12H2,1-4H3/b9-5+/t16-,17-,19+,20+/m0/s1
InChIKeyNLSLPFHXVAAAEH-QVBKECMHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(+)-18-Hydroxy-7,16-sacculatadiene-11,12-dial (CHEBI:185546) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,4aS,5S,8aS)-5-[(E)-4-hydroxy-4-methylpent-2-enyl]-5,8a-dimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
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24846829ChemSpider