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CHEBI:203690 - Punctaporonin N

ChEBI IDCHEBI:203690
ChEBI NamePunctaporonin N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC1(C)C[C@H]2[C@@]1(O)[C@@H](O)C[C@]1(C)C(=O)C=C[C@]21CO
InChIInChI=1S/C15H22O4/c1-12(2)6-9-14(8-16)5-4-10(17)13(14,3)7-11(18)15(9,12)19/h4-5,9,11,16,18-19H,6-8H2,1-3H3/t9-,11+,13-,14+,15-/m1/s1
InChIKeyACESEDZONNAREN-ONWSUVHQSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.phytol.2016.05.001)
ChEBI Ontology
Outgoing Relation(s)
Punctaporonin N (CHEBI:203690) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2aS,3S,4aS,7aS,7bR)-2a,3-dihydroxy-7a-(hydroxymethyl)-2,2,4a-trimethyl-1,3,4,7b-tetrahydrocyclobuta[e]inden-5-one
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78442237ChemSpider