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CHEBI:226036 - Photinide E

ChEBI IDCHEBI:226036
ChEBI NamePhotinide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILESCOc1cccc2c1C(=O)[C@]1(O2)O[C@@]1(CO)C1OC(=O)C[C@H]1C
InChIInChI=1S/C16H16O7/c1-8-6-11(18)21-14(8)15(7-17)16(23-15)13(19)12-9(20-2)4-3-5-10(12)22-16/h3-5,8,14,17H,6-7H2,1-2H3/t8-,14?,15+,16+/m1/s1
InChIKeyNNECITJDSWIVBY-ZTEIETLYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis photiniae (ncbitaxon:289238) - PubMed (19371070)
ChEBI Ontology
Outgoing Relation(s)
Photinide E (CHEBI:226036) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2R,3'S)-3'-(hydroxymethyl)-4-methoxy-3'-[(3R)-3-methyl-5-oxooxolan-2-yl]spiro[1-benzouran-2,2'-oxirane]-3-one
Manual XrefsDatabases
78437795ChemSpider