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CHEBI:223641 - Penicianstinoid B

ChEBI IDCHEBI:223641
ChEBI NamePenicianstinoid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O9
Net Charge0
Average Mass472.490
Monoisotopic Mass472.17333
SMILESC=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)C[C@@H](O)[C@]32C)[C@H](O)[C@@]1(C)OC4=O
InChIInChI=1S/C25H28O9/c1-11-20(6)16(28)24-12(2)22(9-8-15(27)32-19(22,4)5)10-14(26)21(24,7)23(11)17(29)31-13(3)25(23,34-24)18(30)33-20/h8-9,13-14,16,26,28H,1-2,10H2,3-7H3/t13-,14-,16-,20+,21-,22+,23+,24+,25-/m1/s1
InChIKeyIEKBQVGQPACFOH-FHKGFJKNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30990038)
ChEBI Ontology
Outgoing Relation(s)
Penicianstinoid B (CHEBI:223641) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,2S,3R,5R,7R,8R,9S,12R,13R)-3,8-dihydroxy-2,6',6',9,13-pentamethyl-6,16-dimethylidenespiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,5'-pyran]-2',11,15-trione
Manual XrefsDatabases
74832014ChemSpider