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CHEBI:227097 - Aspernidgulene B2

ChEBI IDCHEBI:227097
ChEBI NameAspernidgulene B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O5
Net Charge0
Average Mass402.531
Monoisotopic Mass402.24062
SMILESCC=C(C)C(O)C(C)=CC(C)=CC=CC=C[C@]1(C)[C@@H](C)C(=O)O[C@H]1[C@@H](C)C(=O)O
InChIInChI=1S/C24H34O5/c1-8-16(3)20(25)17(4)14-15(2)12-10-9-11-13-24(7)19(6)23(28)29-21(24)18(5)22(26)27/h8-14,18-21,25H,1-7H3,(H,26,27)/t18-,19+,20?,21+,24-/m1/s1
InChIKeyLLPMFUMHVUYYMI-DRIUQXDWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (30302871)
ChEBI Ontology
Outgoing Relation(s)
Aspernidgulene B2 (CHEBI:227097) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2R)-2-[(2S,3R,4R)-3-(9-hydroxy-6,8,10-trimethyldodeca-1,3,5,7,10-pentaenyl)-3,4-dimethyl-5-oxooxolan-2-yl]propanoic acid