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CHEBI:213581 - Punctatin E

ChEBI IDCHEBI:213581
ChEBI NamePunctatin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1(C)C[C@@H]2[C@@]3(CO)[C@H](O)C=C[C@@]3(C)CC[C@]21O
InChIInChI=1S/C15H24O3/c1-12(2)8-10-14(9-16)11(17)4-5-13(14,3)6-7-15(10,12)18/h4-5,10-11,16-18H,6-9H2,1-3H3/t10-,11-,13+,14+,15+/m1/s1
InChIKeyFELGSSRBVNYFNO-MFHWUAJNSA-N
Species of MetaboliteComponentSourceComments
Poronia punctata (ncbitaxon:101475) - PubMed (3753966)
ChEBI Ontology
Outgoing Relation(s)
Punctatin E (CHEBI:213581) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2aS,4aR,7R,7aR,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,7,7b-tetrahydro-1H-cyclobuta[g]indene-2a,7-diol
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78439787ChemSpider