CHEBI:204690 - Scabronine K

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Scabronine K
ChEBI ID CHEBI:204690
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O4
Net Charge 0
Average Mass 332.440
Monoisotopic Mass 332.19876
InChI InChI=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
InChIKey XQEPJFHJUOQRQV-GSJUVLCZSA-N
SMILES O=C1[C@]2([C@@H](C3=C([C@H](CO)C)CC[C@]3(CO)CC2)CC=C(C1)C=O)C
Metabolite of Species Details
Sarcodon scabrosus (NCBI:txid178525) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
26632093 ChemSpider
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