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CHEBI:208133 - Paecilospirone

ChEBI IDCHEBI:208133
ChEBI NamePaecilospirone
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FormulaC32H44O5
Net Charge0
Average Mass508.699
Monoisotopic Mass508.31887
SMILESCCCCCCCCC(=O)c1cccc2c1[C@@H](O)[C@@H](CCCCCCC)[C@@]1(OCc3c(O)cccc31)O2
InChIInChI=1S/C32H44O5/c1-3-5-7-9-11-13-19-27(33)23-16-14-21-29-30(23)31(35)26(17-12-10-8-6-4-2)32(37-29)25-18-15-20-28(34)24(25)22-36-32/h14-16,18,20-21,26,31,34-35H,3-13,17,19,22H2,1-2H3/t26-,31+,32+/m1/s1
InChIKeyCCRSXYWJZQINJL-GWTOPCPNSA-N
ChEBI Ontology
Outgoing Relation(s)
Paecilospirone (CHEBI:208133) is a butanone (CHEBI:22951)
IUPAC Name 
1-[(3R,3'R,4'S)-3'-heptyl-4',7-dihydroxyspiro[1H-2-benzouran-3,2'-3,4-dihydrochromene]-5'-yl]nonan-1-one
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8159350ChemSpider