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CHEBI:198261 - Scabronine G

ChEBI IDCHEBI:198261
ChEBI NameScabronine G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESCC(C)C1=C2[C@H]3CC=C(C=O)CC(=O)[C@]3(C)CC[C@@]2(C(=O)O)CC1
InChIInChI=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
InChIKeyPDFVQJPCHCWDIY-YSGRDPCXSA-N
Species of MetaboliteComponentSourceComments
Sarcodon scabrosus (ncbitaxon:178525) - DOI (10.1080/00021369.1989.10869820)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
9704809ChemSpider