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CHEBI:201371 - Scabronine F

ChEBI IDCHEBI:201371
ChEBI NameScabronine F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESCC(C)C1=C2C3=CC=C(C=O)C[C@H](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/h4-5,11-12,16,22H,6-10H2,1-3H3,(H,23,24)/t16-,19+,20-/m0/s1
InChIKeyALNWABXUYKIYJF-DBVUQKKJSA-N
Species of MetaboliteComponentSourceComments
Sarcodon scabrosus (ncbitaxon:178525) - DOI (10.1016/s0040-4020(98)83045-7)
ChEBI Ontology
Outgoing Relation(s)
Scabronine F (CHEBI:201371) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aS,5aR,6S)-8-ormyl-6-hydroxy-5a-methyl-1-propan-2-yl-2,3,4,5,6,7-hexahydrocyclohepta[g]indene-3a-carboxylic acid
Manual XrefsDatabases
8149504ChemSpider