EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217282 - Arthrosporol A

ChEBI IDCHEBI:217282
ChEBI NameArthrosporol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O7
Net Charge0
Average Mass410.507
Monoisotopic Mass410.23045
SMILESCC(=C[C@H](O)[C@]12O[C@H]1[C@H](O)C(CO)=C[C@@H]2O)/C=C/[C@@H]1C(C)(C)[C@H](O)CC[C@@]1(C)O
InChIInChI=1S/C22H34O7/c1-12(5-6-14-20(2,3)15(24)7-8-21(14,4)28)9-16(25)22-17(26)10-13(11-23)18(27)19(22)29-22/h5-6,9-10,14-19,23-28H,7-8,11H2,1-4H3/b6-5+,12-9?/t14-,15-,16+,17+,18-,19+,21-,22-/m1/s1
InChIKeyQNKOHRFNLSYLSF-WTPVCVKJSA-N
Species of MetaboliteComponentSourceComments
Orbilia oligospora (ncbitaxon:2813651) - PubMed (22768791)
ChEBI Ontology
Outgoing Relation(s)
Arthrosporol A (CHEBI:217282) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,5R,6S)-1-[(1S,4E)-5-[(1R,3R,6R)-3,6-dihydroxy-2,2,6-trimethylcyclohexyl]-1-hydroxy-3-methylpenta-2,4-dienyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol