EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208409 - Spirosorbicillinol C

ChEBI IDCHEBI:208409
ChEBI NameSpirosorbicillinol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O10
Net Charge0
Average Mass488.489
Monoisotopic Mass488.16825
SMILESC/C=C/C=C/C(O)=C1/C(=O)C2(C)C(=O)[C@@](C)(O)C1C[C@@]21O[C@@H]2C=C(C(=O)OC)C[C@H](O)[C@H]2OC1=O
InChIInChI=1S/C25H28O10/c1-5-6-7-8-14(26)17-13-11-25(23(2,19(17)28)21(30)24(13,3)32)22(31)34-18-15(27)9-12(20(29)33-4)10-16(18)35-25/h5-8,10,13,15-16,18,26-27,32H,9,11H2,1-4H3/b6-5+,8-7+,17-14-/t13?,15-,16+,18+,23?,24-,25-/m0/s1
InChIKeyRMUNHLRRMGZDJJ-DCNJXBJSSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (19502726)
ChEBI Ontology
Outgoing Relation(s)
Spirosorbicillinol C (CHEBI:208409) is a dioxanes (CHEBI:46926)
IUPAC Name 
methyl (2R,4aR,5S,5'S,8'Z,8aR)-5,5'-dihydroxy-8'-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1',5'-dimethyl-3,6',7'-trioxospiro[4a,5,6,8a-tetrahydro-1,4-benzodioxine-2,2'-bicyclo[2.2.2]octane]-7-carboxylate
Manual XrefsDatabases
78437367ChemSpider