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CHEBI:204690 - Scabronine K

ChEBI IDCHEBI:204690
ChEBI NameScabronine K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC[C@@H](CO)C1=C2[C@H]3CC=C(C=O)CC(=O)[C@]3(C)CC[C@@]2(CO)CC1
InChIInChI=1S/C20H28O4/c1-13(10-21)15-5-6-20(12-23)8-7-19(2)16(18(15)20)4-3-14(11-22)9-17(19)24/h3,11,13,16,21,23H,4-10,12H2,1-2H3/t13-,16+,19+,20+/m0/s1
InChIKeyXQEPJFHJUOQRQV-GSJUVLCZSA-N
Species of MetaboliteComponentSourceComments
Sarcodon scabrosus (ncbitaxon:178525) - PubMed (21530015)
ChEBI Ontology
Outgoing Relation(s)
Scabronine K (CHEBI:204690) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aS,5aR,10aR)-3a-(hydroxymethyl)-1-[(2R)-1-hydroxypropan-2-yl]-5a-methyl-6-oxo-3,4,5,7,10,10a-hexahydro-2H-cyclohepta[e]indene-8-carbaldehyde
Manual XrefsDatabases
26632093ChemSpider