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CHEBI:205336 - Punctaporonin O

ChEBI IDCHEBI:205336
ChEBI NamePunctaporonin O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O4
Net Charge0
Average Mass282.380
Monoisotopic Mass282.18311
SMILESCO[C@H]1C=C[C@]2(CO)[C@H]3CC(C)(C)[C@]3(O)[C@@H](O)C[C@]12C
InChIInChI=1S/C16H26O4/c1-13(2)7-10-15(9-17)6-5-12(20-4)14(15,3)8-11(18)16(10,13)19/h5-6,10-12,17-19H,7-9H2,1-4H3/t10-,11+,12+,14-,15+,16-/m1/s1
InChIKeyRAWZTUSIEGETRT-XFCPKUOGSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.phytol.2016.05.001)
ChEBI Ontology
Outgoing Relation(s)
Punctaporonin O (CHEBI:205336) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2aS,3S,4aS,5S,7aS,7bR)-7a-(hydroxymethyl)-5-methoxy-2,2,4a-trimethyl-3,4,5,7b-tetrahydro-1H-cyclobuta[e]indene-2a,3-diol
Manual XrefsDatabases
78442240ChemSpider