EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200404 - Sargabetaopenilline B

ChEBI IDCHEBI:200404
ChEBI NameSargabetaopenilline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O8
Net Charge0
Average Mass380.393
Monoisotopic Mass380.14712
SMILESCC(=O)OC1c2cc(O)c(C)c(O)c2CO[C@@]12O[C@@H](C)CC[C@@H]2OC(C)=O
InChIInChI=1S/C19H24O8/c1-9-5-6-16(25-11(3)20)19(27-9)18(26-12(4)21)13-7-15(22)10(2)17(23)14(13)8-24-19/h7,9,16,18,22-23H,5-6,8H2,1-4H3/t9-,16-,18?,19-/m0/s1
InChIKeyPLVLDRIHJAEAJS-FFWHUUPMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25501795)
ChEBI Ontology
Outgoing Relation(s)
Sargabetaopenilline B (CHEBI:200404) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
[(3S,3'S,6'S)-4-acetyloxy-6,8-dihydroxy-6',7-dimethylspiro[1,4-dihydroisochromene-3,2'-oxane]-3'-yl] acetate
Manual XrefsDatabases
34982013ChemSpider