EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200016 - Spirodienal B

ChEBI IDCHEBI:200016
ChEBI NameSpirodienal B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O7
Net Charge0
Average Mass564.804
Monoisotopic Mass564.40260
SMILESCC/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/C33H56O7/c1-10-14-20(2)17-22(4)30(37)26(8)32-24(6)27(38-9)19-33(40-32)28(35)18-23(5)31(39-33)25(7)29(36)21(3)15-12-11-13-16-34/h11-16,21-32,35-37H,10,17-19H2,1-9H3/b13-11+,15-12-,20-14+/t21?,22?,23-,24+,25?,26?,27+,28-,29?,30?,31-,32-,33+/m0/s1
InChIKeyHIBXHLLAIDYISL-QKPYIBRLSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (19557360)
ChEBI Ontology
Outgoing Relation(s)
Spirodienal B (CHEBI:200016) 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-dimethylnon-6-en-2-yl]-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-6-methylnona-2,4-dienal
Manual XrefsDatabases
78445579ChemSpider