CHEBI:209958 - 6-hydroxypunctaporonin E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6-hydroxypunctaporonin E
ChEBI ID CHEBI:209958
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O4
Net Charge 0
Average Mass 268.353
Monoisotopic Mass 268.16746
InChI InChI=1S/C15H24O4/c1-12(2)6-9-14(8-16)10(17)4-5-13(14,3)7-11(18)15(9,12)19/h4-5,9-11,16-19H,6-8H2,1-3H3/t9-,10-,11+,13+,14+,15-/m1/s1
InChIKey BHYNWCIZAMGPRG-FPPVMWEASA-N
SMILES O[C@]12C(C[C@@H]1[C@]3([C@H](O)C=C[C@]3(C[C@@H]2O)C)CO)(C)C
Metabolite of Species Details
Pestalotiopsis disseminata (NCBI:txid173182) See: PubMed
ChEBI Ontology
Outgoing 6-hydroxypunctaporonin E (CHEBI:209958) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(2aS,3S,4aR,7R,7aR,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,7,7b-tetrahydro-1H-cyclobuta[g]indene-2a,3,7-triol
Manual Xref Database
9754645 ChemSpider
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