CHEBI:216190 - Trichoaurantianolide 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 Trichoaurantianolide C
ChEBI ID CHEBI:216190
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(11(3)9-24-17)19(5,8-15(23)25-20)14(22)7-18(12,16)4/h10,12,14,16-17,22H,3,6-9H2,1-2,4-5H3/t12-,14-,16-,17+,18-,19+,20-/m1/s1
InChIKey WEESDXVSTZNCSH-QUDJOTQDSA-N
SMILES O=C1O[C@]23C(=C)CO[C@H]2[C@H]4C(=O)C[C@@H]([C@@]4(C)C[C@H]([C@@]3(C1)C)O)C(C)C
Metabolite of Species Details
Tricholoma aurantium (NCBI:txid181708) See: DOI
ChEBI Ontology
Outgoing Trichoaurantianolide C (CHEBI:216190) is a diterpene lactone (CHEBI:49193)
IUPAC Name
(1S,5S,6S,9R,10R,12R,13S)-12-hydroxy-10,13-dimethyl-2-methylidene-9-propan-2-yl-4,16-dioxatetracyclo[11.3.0.01,5.06,10]hexadecane-7,15-dione
Manual Xref Database
35000177 ChemSpider
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