CHEBI:198261 - Scabronine G

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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 G
ChEBI ID CHEBI:198261
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O4
Net Charge 0
Average Mass 330.424
Monoisotopic Mass 330.18311
InChI InChI=1S/C20H26O4/c1-12(2)14-6-7-20(18(23)24)9-8-19(3)15(17(14)20)5-4-13(11-21)10-16(19)22/h4,11-12,15H,5-10H2,1-3H3,(H,23,24)/t15-,19-,20+/m1/s1
InChIKey PDFVQJPCHCWDIY-YSGRDPCXSA-N
SMILES O=C1[C@]2([C@@H](C3=C(C(C)C)CC[C@]3(C(=O)O)CC2)CC=C(C1)C=O)C
Metabolite of Species Details
Sarcodon scabrosus (NCBI:txid178525) See: DOI
ChEBI Ontology
Outgoing Scabronine G (CHEBI:198261) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3aS,5aR,10aR)-8-ormyl-5a-methyl-6-oxo-1-propan-2-yl-3,4,5,7,10,10a-hexahydro-2H-cyclohepta[g]indene-3a-carboxylic acid
Manual Xref Database
9704809 ChemSpider
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