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CHEBI:224465 - Talascortene B

ChEBI IDCHEBI:224465
ChEBI NameTalascortene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESC[C@]1(O)C[C@]23CC[C@H]1C[C@@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@]1(O)CC3
InChIInChI=1S/C20H32O4/c1-16-6-4-7-17(2,15(21)22)20(16,24)10-9-19-8-5-13(11-14(16)19)18(3,23)12-19/h13-14,23-24H,4-12H2,1-3H3,(H,21,22)/t13-,14+,16+,17+,18-,19+,20-/m0/s1
InChIKeyVNPOBPMVQQMCMH-ZVKOXAMYSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (32813522)
ChEBI Ontology
Outgoing Relation(s)
Talascortene B (CHEBI:224465) has parent hydride atisane (CHEBI:36471)
Talascortene B (CHEBI:224465) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,4S,5S,9R,10S,12S,13S)-4,13-dihydroxy-5,9,13-trimethyltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid
Manual XrefsDatabases
90609331ChemSpider