EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221947 - Neosartoricin B

ChEBI IDCHEBI:221947
ChEBI NameNeosartoricin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O8
Net Charge0
Average Mass442.464
Monoisotopic Mass442.16277
SMILESCC(=O)C=C(O)C[C@]1(O)Cc2c(c(O)c3c(O)cc(O)cc3c2CC=C(C)C)C(=O)[C@H]1O
InChIInChI=1S/C24H26O8/c1-11(2)4-5-15-16-7-13(26)8-18(28)19(16)21(29)20-17(15)10-24(32,23(31)22(20)30)9-14(27)6-12(3)25/h4,6-8,23,26-29,31-32H,5,9-10H2,1-3H3/t23-,24+/m1/s1
InChIKeySKHLOOKFZVSRKY-RPWUZVMVSA-N
Species of MetaboliteComponentSourceComments
Trichophyton tonsurans CBS 112818 (ncbitaxon:647933) - PubMed (23758576)
ChEBI Ontology
Outgoing Relation(s)
Neosartoricin B (CHEBI:221947) is a anthracenes (CHEBI:46955)
IUPAC Name 
(2S,3R)-2,3,6,8,9-pentahydroxy-3-(2-hydroxy-4-oxopent-2-enyl)-10-(3-methylbut-2-enyl)-2,4-dihydroanthracen-1-one