EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205225 - Spirodienal

ChEBI IDCHEBI:205225
ChEBI NameSpirodienal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O7
Net Charge0
Average Mass550.777
Monoisotopic Mass550.38695
SMILESC/C=C(\C)CC(C)C(O)C(C)[C@H]1O[C@@]2(C[C@@H](OC)[C@H]1C)O[C@H](C(C)C(O)C(C)/C=C\C=C\C=O)[C@@H](C)C[C@@H]2O
InChIInChI=1S/C32H54O7/c1-10-19(2)16-21(4)29(36)25(8)31-23(6)26(37-9)18-32(39-31)27(34)17-22(5)30(38-32)24(7)28(35)20(3)14-12-11-13-15-33/h10-15,20-31,34-36H,16-18H2,1-9H3/b13-11+,14-12-,19-10+/t20?,21?,22-,23+,24?,25?,26+,27-,28?,29?,30-,31-,32+/m0/s1
InChIKeyBSBFCBHGWBTHOG-HYIKHWAGSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - DOI (10.5012/bkcs.2009.30.3.742)
ChEBI Ontology
Outgoing Relation(s)
Spirodienal (CHEBI:205225) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2E,4Z)-7-hydroxy-8-[(2R,3R,4R,6R,8S,9S,11S)-11-hydroxy-2-[(E)-3-hydroxy-4,6-dimethyloct-6-en-2-yl]-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-6-methylnona-2,4-dienal
Manual XrefsDatabases
78445758ChemSpider