EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217728 - Bisacremine C

ChEBI IDCHEBI:217728
ChEBI NameBisacremine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O4
Net Charge0
Average Mass384.516
Monoisotopic Mass384.23006
SMILESCc1ccc(C=C[C@@]2(C)CC[C@@](C)(C=CC3=C[C@H](O)[C@](C)(O)C[C@@H]3O)O2)cc1
InChIInChI=1S/C24H32O4/c1-17-5-7-18(8-6-17)9-11-22(2)13-14-23(3,28-22)12-10-19-15-21(26)24(4,27)16-20(19)25/h5-12,15,20-21,25-27H,13-14,16H2,1-4H3/t20-,21-,22-,23+,24+/m0/s1
InChIKeyHNOZTTDBTGBFNA-ZROJVYTPSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (26295905)
ChEBI Ontology
Outgoing Relation(s)
Bisacremine C (CHEBI:217728) is a styrenes (CHEBI:26799)
IUPAC Name 
(1S,2R,4S)-5-[2-[(2S,5R)-2,5-dimethyl-5-[2-(4-methylphenyl)ethenyl]oxolan-2-yl]ethenyl]-2-methylcyclohex-5-ene-1,2,4-triol