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CHEBI:224196 - Asperunguisin C

ChEBI IDCHEBI:224196
ChEBI NameAsperunguisin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O3
Net Charge0
Average Mass388.592
Monoisotopic Mass388.29775
SMILESCC(C)[C@@H]1CC[C@]2(C)C1=CC[C@]1(C)[C@H]3CC[C@@]4(C)O[C@H]([C@H]4O)[C@]3(C)[C@@H](O)C[C@H]12
InChIInChI=1S/C25H40O3/c1-14(2)15-7-10-22(3)16(15)8-11-23(4)17-9-12-24(5)20(27)21(28-24)25(17,6)19(26)13-18(22)23/h8,14-15,17-21,26-27H,7,9-13H2,1-6H3/t15-,17+,18-,19-,20+,21+,22+,23+,24+,25-/m0/s1
InChIKeyNLVZPTYDJZNGCY-OVZDKSCUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus unguis (ncbitaxon:40381) - PubMed (31117521)
ChEBI Ontology
Outgoing Relation(s)
Asperunguisin C (CHEBI:224196) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,2S,3S,5R,6S,9S,13S,14R,17R,19R)-2,6,13,17-tetramethyl-9-propan-2-yl-18-oxapentacyclo[15.1.1.02,14.05,13.06,10]nonadec-10-ene-3,19-diol
Manual XrefsDatabases
128439622ChemSpider