CHEBI:206816 - Spiroarthrinol A

ChEBI IDCHEBI:206816
ChEBI NameSpiroarthrinol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O5
Net Charge0
Average Mass356.418
Monoisotopic Mass356.16237
SMILESCOc1cc(C)cc2c1CO[C@]21c2ccc(O)c(O)c2C[C@@H]1C(C)(C)O
InChIInChI=1S/C21H24O5/c1-11-7-15-13(17(8-11)25-4)10-26-21(15)14-5-6-16(22)19(23)12(14)9-18(21)20(2,3)24/h5-8,18,22-24H,9-10H2,1-4H3/t18-,21-/m1/s1
InChIKeySZYDSVWDDZQORC-WIYYLYMNSA-N
Species of MetaboliteComponentSourceComments
Arthriniumspecies (ncbitaxon:1756131) - DOI (10.1016/j.phytol.2017.05.008)
ChEBI Ontology
Outgoing Relation(s)
Spiroarthrinol A (CHEBI:206816) is a indanes (CHEBI:46940)
IUPAC Name 
(2'R,3R)-2'-(2-hydroxypropan-2-yl)-7-methoxy-5-methylspiro[1H-2-benzouran-3,1'-2,3-dihydroindene]-4',5'-diol
Manual XrefsDatabases
63002584ChemSpider