CHEBI:221875 - Tricholomalide C

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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 Tricholomalide C
ChEBI ID CHEBI:221875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O5
Net Charge 0
Average Mass 348.439
Monoisotopic Mass 348.19367
InChI InChI=1S/C20H28O5/c1-11(2)13-6-15(22)14-7-20(12(3)10-21)19(5,9-17(24)25-20)16(23)8-18(13,14)4/h7,11,13,16,21,23H,3,6,8-10H2,1-2,4-5H3/t13-,16+,18-,19+,20+/m0/s1
InChIKey LAUXGJSHPLNZHD-LVQIXTDASA-N
SMILES O=C1O[C@@]2(C(=C)CO)C=C3C(=O)C[C@H]([C@]3(C)C[C@H]([C@]2(C1)C)O)C(C)C
Metabolite of Species Details
Tricholomaspecies (NCBI:txid1745201) See: PubMed
ChEBI Ontology
Outgoing Tricholomalide C (CHEBI:221875) is a diterpene lactone (CHEBI:49193)
IUPAC Name
(3aR,4R,5aS,6S,9aR)-4-hydroxy-9a-(3-hydroxyprop-1-en-2-yl)-3a,5a-dimethyl-6-propan-2-yl-4,5,6,7-tetrahydro-3H-azuleno[7,6-b]uran-2,8-dione
Manual Xref Database
8173478 ChemSpider
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