CHEBI:224234 - Tricholomalide A

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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 A
ChEBI ID CHEBI:224234
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/c1-10(2)12-6-13(21)16-17-20(23,11(3)9-24-17)19(5)8-15(22)25-14(19)7-18(12,16)4/h10,12,14,16-17,23H,3,6-9H2,1-2,4-5H3/t12-,14+,16-,17-,18-,19+,20+/m0/s1
InChIKey FNWXCFNQVRNNMR-AAQVCALCSA-N
SMILES O=C1O[C@@H]2C[C@@]3([C@@H](C(=O)C[C@H]3C(C)C)[C@H]4[C@]([C@@]2(C1)C)(O)C(=C)CO4)C
Metabolite of Species Details
Tricholomaspecies (NCBI:txid1745201) See: PubMed
ChEBI Ontology
Outgoing Tricholomalide A (CHEBI:224234) is a γ-lactone (CHEBI:37581)
IUPAC Name
(1R,2S,6S,7R,11R,13S,14S)-6-hydroxy-7,13-dimethyl-5-methylidene-14-propan-2-yl-3,10-dioxatetracyclo[11.3.0.02,6.07,11]hexadecane-9,16-dione
Manual Xref Database
9523553 ChemSpider
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