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CHEBI:206753 - (12S)-12-hydroxymonocerin

ChEBI IDCHEBI:206753
ChEBI Name(12S)-12-hydroxymonocerin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O7
Net Charge0
Average Mass324.329
Monoisotopic Mass324.12090
SMILESCOc1cc2c(c(O)c1OC)C(=O)O[C@@H]1C[C@H](C[C@H](C)O)O[C@H]21
InChIInChI=1S/C16H20O7/c1-7(17)4-8-5-11-14(22-8)9-6-10(20-2)15(21-3)13(18)12(9)16(19)23-11/h6-8,11,14,17-18H,4-5H2,1-3H3/t7-,8-,11+,14+/m0/s1
InChIKeyOAWLQCWPKLOBPA-ZFIUTFFNSA-N
Species of MetaboliteComponentSourceComments
Microdochium bolleyi (ncbitaxon:196109) - PubMed (18510362)
ChEBI Ontology
Outgoing Relation(s)
(12S)-12-hydroxymonocerin (CHEBI:206753) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(2S,3aR,9bR)-6-hydroxy-2-[(2S)-2-hydroxypropyl]-7,8-dimethoxy-2,3,3a,9b-tetrahydrouro[3,2-c]isochromen-5-one
Manual XrefsDatabases
23330203ChemSpider