CHEBI:199765 - Preubetaomerin B

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ChEBI Name Preubetaomerin B
ChEBI ID CHEBI:199765
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H16O7
Net Charge 0
Average Mass 368.341
Monoisotopic Mass 368.08960
InChI InChI=1S/C20H16O7/c21-9-6-7-19-14-8(9)2-1-3-11(14)26-20(27-19)15-12(25-19)5-4-10(22)13(15)16(23)17-18(20)24-17/h1-5,9,16-18,21-23H,6-7H2/t9-,16+,17+,18+,19+,20-/m0/s1
InChIKey LDAZRCIVNCIMFP-YIHIMSTHSA-N
SMILES O1C2=C3C(=CC=C2)[C@@H](O)CC[C@]34OC5=C6[C@]1(O4)[C@@H]7O[C@@H]7[C@@H](C6=C(O)C=C5)O
Metabolite of Species Details
Preussia (NCBI:txid265084) See: DOI
ChEBI Ontology
Outgoing Preubetaomerin B (CHEBI:199765) is a tetralins (CHEBI:36786)
IUPAC Name
(1S,2R,4R,5R,12R,15S)-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),16(23),17,19-hexaene-5,7,15-triol
Manual Xref Database
10196223 ChemSpider
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