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CHEBI:224191 - Asperunguisin A

ChEBI IDCHEBI:224191
ChEBI NameAsperunguisin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O3
Net Charge0
Average Mass388.592
Monoisotopic Mass388.29775
SMILESC=C1CC[C@@H]2[C@@]3(C)CC=C4[C@H](C(C)C)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@@]2(C)[C@H](O)[C@H]1O
InChIInChI=1S/C25H40O3/c1-14(2)16-9-11-23(4)17(16)10-12-24(5)18-8-7-15(3)21(27)22(28)25(18,6)20(26)13-19(23)24/h10,14,16,18-22,26-28H,3,7-9,11-13H2,1-2,4-6H3/t16-,18+,19-,20-,21-,22+,23+,24+,25-/m0/s1
InChIKeyNGAYUCRULVOMER-NKJUQTNKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus unguis (ncbitaxon:40381) - PubMed (31117521)
ChEBI Ontology
Outgoing Relation(s)
Asperunguisin A (CHEBI:224191) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(1S,2R,6S,7S,8S,9S,11R,12S,15S)-1,8,12-trimethyl-5-methylidene-15-propan-2-yltetracyclo[9.7.0.02,8.012,16]octadec-16-ene-6,7,9-triol
Manual XrefsDatabases
128438522ChemSpider