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CHEBI:199516 - 7-Hydroxysordaricin

Default Structure
ChEBI IDCHEBI:199516
ChEBI Name7-Hydroxysordaricin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESCC(C)C1=CC2CC3(C=O)[C@@H]4CC[C@](C)(O)[C@H]4CC2(CO)C13C(=O)O
InChIInChI=1S/C20H28O5/c1-11(2)14-6-12-7-19(10-22)13-4-5-17(3,25)15(13)8-18(12,9-21)20(14,19)16(23)24/h6,10-13,15,21,25H,4-5,7-9H2,1-3H3,(H,23,24)/t12?,13-,15+,17+,18?,19?,20?/m1/s1
InChIKeyGEHSSDSUIBHHAH-PHYDIUBJSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix mutabilis subsp. capreolus (ncbitaxon:66854) - PubMed (11827037)
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxysordaricin (CHEBI:199516) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4S,5S,8R)-9-ormyl-5-hydroxy-2-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Manual XrefsDatabases
78445385ChemSpider