CHEBI:217165 - 6-hydroxypunctaporonin A

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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 A
ChEBI ID CHEBI:217165
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)5-4-10(17)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 DKKMPXNBHNACRK-JMDLWMOSSA-N
SMILES O[C@]12C(C[C@@H]1[C@]3(C=C[C@H]([C@]3(C[C@@H]2O)C)O)CO)(C)C
Metabolite of Species Details
Pestalotiopsis disseminata (NCBI:txid173182) See: PubMed
ChEBI Ontology
Outgoing 6-hydroxypunctaporonin A (CHEBI:217165) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(2aS,3S,4aS,5R,7aS,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,5,7b-tetrahydro-1H-cyclobuta[e]indene-2a,3,5-triol
Manual Xref Database
9732838 ChemSpider
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