CHEBI:209635 - Trematosphone 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 Trematosphone B
ChEBI ID CHEBI:209635
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O9
Net Charge 0
Average Mass 382.365
Monoisotopic Mass 382.12638
InChI InChI=1S/C18H22O9/c1-7-11(25-5)9-10-12(26-6)8(2)14(20)16(4,22)18(10,24)27-17(9,23)15(3,21)13(7)19/h21-24H,1-6H3/t15-,16-,17-,18-/m0/s1
InChIKey PVZOTTYTXOMNTA-XSLAGTTESA-N
SMILES O=C1C(=C(OC)C2=C3C(OC)=C(C)C([C@@]([C@]3(O[C@@]2([C@]1(O)C)O)O)(O)C)=O)C
Metabolite of Species Details
Lophiostoma terricola (NCBI:txid1283760) See: PubMed
ChEBI Ontology
Outgoing Trematosphone B (CHEBI:209635) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(4S,4aS,5aS,6S)-4,4a,5a,6-tetrahydroxy-1,9-dimethoxy-2,4,6,8-tetramethyldibenzouran-3,7-dione