EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217165 - 6-hydroxypunctaporonin A

ChEBI IDCHEBI:217165
ChEBI Name6-hydroxypunctaporonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESCC1(C)C[C@H]2[C@@]1(O)[C@@H](O)C[C@]1(C)[C@H](O)C=C[C@]21CO
InChIInChI=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
InChIKeyDKKMPXNBHNACRK-JMDLWMOSSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis disseminata (ncbitaxon:173182) - PubMed (16643036)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
9732838ChemSpider