CHEBI:224465 - Talascortene B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Talascortene B
ChEBI ID CHEBI:224465
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H32O4
Net Charge 0
Average Mass 336.472
Monoisotopic Mass 336.23006
InChI InChI=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
InChIKey VNPOBPMVQQMCMH-ZVKOXAMYSA-N
SMILES O=C(O)[C@@]1([C@@]2(O)[C@@]([C@@H]3[C@@]4(C[C@@](O)(C)[C@H](C3)CC4)CC2)(CCC1)C)C
Metabolite of Species Details
Talaromyces (NCBI:txid5094) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
90609331 ChemSpider
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