EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217832 - Betaestacin IV

ChEBI IDCHEBI:217832
ChEBI NameBetaestacin IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O2
Net Charge0
Average Mass370.577
Monoisotopic Mass370.28718
SMILESC/C1=C/C[C@@H]2[C@H]([C@H](C)C(=O)O)CC[C@@]2(C)C/C=C(\C)C/C=C2\[C@H]1CC[C@@H]2C
InChIInChI=1S/C25H38O2/c1-16-6-9-20-17(2)7-10-21(20)18(3)8-11-23-22(19(4)24(26)27)13-15-25(23,5)14-12-16/h8-9,12,17,19,21-23H,6-7,10-11,13-15H2,1-5H3,(H,26,27)/b16-12+,18-8-,20-9-/t17-,19-,21-,22-,23+,25+/m0/s1
InChIKeyWKRVJDAEDJTSCC-BLKIYGGPSA-N
ChEBI Ontology
Outgoing Relation(s)
Betaestacin IV (CHEBI:217832) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2S)-2-[(1S,2Z,5R,6R,9S,11E,14E,16S)-2,9,12,16-tetramethyl-6-tricyclo[13.3.0.05,9]octadeca-2,11,14-trienyl]propanoic acid
Manual XrefsDatabases
78439406ChemSpider