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CHEBI:201038 - Sorokinianin

ChEBI IDCHEBI:201038
ChEBI NameSorokinianin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O4
Net Charge0
Average Mass308.418
Monoisotopic Mass308.19876
SMILESC=C1C([C@@H]2C[C@@H](O)C(=O)O2)[C@H]2[C@@H](C(C)C)CC[C@]1(C)[C@H]2CO
InChIInChI=1S/C18H28O4/c1-9(2)11-5-6-18(4)10(3)15(16(11)12(18)8-19)14-7-13(20)17(21)22-14/h9,11-16,19-20H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15?,16+,18+/m1/s1
InChIKeyPTGFDIFCKGMAJK-HBBNERDWSA-N
Species of MetaboliteComponentSourceComments
Bipolaris sorokiniana (ncbitaxon:45130) - DOI (10.1016/0040-4039(94)88520-6)
ChEBI Ontology
Outgoing Relation(s)
Sorokinianin (CHEBI:201038) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3R,5S)-3-hydroxy-5-[(1R,4R,5S,8S)-8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]oxolan-2-one
Manual XrefsDatabases
23550609ChemSpider