CHEBI:209630 - Trematosphone 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 Trematosphone A
ChEBI ID CHEBI:209630
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O8
Net Charge 0
Average Mass 366.366
Monoisotopic Mass 366.13147
InChI InChI=1S/C18H22O8/c1-13(22)11(20)10-17(23)14(2)9(24-5)7-8(19)16(17,4)26-18(10,25-6)15(14,3)12(13)21/h7,10,22-23H,1-6H3/t10-,13-,14+,15+,16+,17+,18+/m0/s1
InChIKey HNQLWQXHOUZHRB-AAPQROMHSA-N
SMILES O=C1C=C(OC)[C@@]2([C@]3(C(=O)[C@](C([C@H]4[C@@]2([C@@]1(O[C@]43OC)C)O)=O)(O)C)C)C
Metabolite of Species Details
Lophiostoma terricola (NCBI:txid1283760) See: PubMed
ChEBI Ontology
Outgoing Trematosphone A (CHEBI:209630) is a ketal (CHEBI:59777)
IUPAC Name
(1S,2R,4S,8R,9R,10R,12S)-9,12-dihydroxy-2,7-dimethoxy-1,4,8,12-tetramethyl-3-oxatetracyclo[6.5.0.02,10.04,9]tridec-6-ene-5,11,13-trione