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CHEBI:224179 - Asperunguisin E

ChEBI IDCHEBI:224179
ChEBI NameAsperunguisin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H42O4
Net Charge0
Average Mass406.607
Monoisotopic Mass406.30831
SMILESCC(C)[C@@H]1CC[C@]2(C)C1=CC[C@]1(C)[C@H]3CC[C@](C)(O)[C@H](O)[C@@H](O)[C@]3(C)[C@@H](O)C[C@H]12
InChIInChI=1S/C25H42O4/c1-14(2)15-7-10-22(3)16(15)8-11-23(4)17-9-12-24(5,29)20(27)21(28)25(17,6)19(26)13-18(22)23/h8,14-15,17-21,26-29H,7,9-13H2,1-6H3/t15-,17+,18-,19-,20+,21+,22+,23+,24-,25-/m0/s1
InChIKeyWMNBQKASDSMKDY-VHTKSKENSA-N
Species of MetaboliteComponentSourceComments
Aspergillus unguis (ncbitaxon:40381) - PubMed (31117521)
ChEBI Ontology
Outgoing Relation(s)
Asperunguisin E (CHEBI:224179) is a cyclitol (CHEBI:23451)
IUPAC Name 
(1S,2R,5S,6R,7S,8S,9S,11R,12S,15S)-1,5,8,12-tetramethyl-15-propan-2-yltetracyclo[9.7.0.02,8.012,16]octadec-16-ene-5,6,7,9-tetrol