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CHEBI:224460 - Talascortene A

ChEBI IDCHEBI:224460
ChEBI NameTalascortene A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31ClO5
Net Charge0
Average Mass386.916
Monoisotopic Mass386.18600
SMILESC=C[C@H]1[C@@H]2CC[C@@]3(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]3(C)[C@H]2CC[C@@]1(O)CCl
InChIInChI=1S/C20H31ClO5/c1-4-13-12-5-10-20(26)17(2,14(12)6-9-19(13,25)11-21)8-7-15(22)18(20,3)16(23)24/h4,12-15,22,25-26H,1,5-11H2,2-3H3,(H,23,24)/t12-,13-,14-,15+,17+,18+,19+,20-/m0/s1
InChIKeyKNCZRFUKVGJVKK-OIHMJVCWSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (32813522)
ChEBI Ontology
Outgoing Relation(s)
Talascortene A (CHEBI:224460) is a steroid acid (CHEBI:47891)
IUPAC Name 
(1S,2R,4aR,4bS,7S,8S,8aR,10aS)-7-(chloromethyl)-8-ethenyl-2,7,10a-trihydroxy-1,4a-dimethyl-2,3,4,4b,5,6,8,8a,9,10-decahydrophenanthrene-1-carboxylic acid
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