EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223148 - Sclerosporide

ChEBI IDCHEBI:223148
ChEBI NameSclerosporide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O7
Net Charge0
Average Mass424.534
Monoisotopic Mass424.24610
SMILESCO[C@@H]1[C@@H](O)[C@H](O)[C@H](OC(=O)C2=CC[C@@H](C(C)C)[C@@H]3C=C(C)CC[C@H]23)[C@H](OC)[C@H]1O
InChIInChI=1S/C23H36O7/c1-11(2)13-8-9-15(14-7-6-12(3)10-16(13)14)23(27)30-22-18(25)17(24)20(28-4)19(26)21(22)29-5/h9-11,13-14,16-22,24-26H,6-8H2,1-5H3/t13-,14+,16-,17-,18-,19-,20+,21+,22-/m0/s1
InChIKeyUFNLIQIFTAMKKF-PNJRTPMQSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum higginsianum (ncbitaxon:80884) - PubMed (30776231)
ChEBI Ontology
Outgoing Relation(s)
Sclerosporide (CHEBI:223148) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,2S,3S,4R,5S,6R)-2,3,5-trihydroxy-4,6-dimethoxycyclohexyl] (4S,4aR,8aS)-6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carboxylate