EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204795 - Hypogeamicin A

ChEBI IDCHEBI:204795
ChEBI NameHypogeamicin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H44N2O14S
Net Charge0
Average Mass784.837
Monoisotopic Mass784.25133
SMILESCCC[C@H]1O[C@H](CC(N)=O)C[C@]2(S[C@]34C[C@@H](CC(N)=O)O[C@H](CCC)[C@]3(O)C(=O)c3c(O)cc(OC)cc3C4=O)C(=O)c3cc(OC)cc(O)c3C(=O)[C@@]12O
InChIInChI=1S/C38H44N2O14S/c1-5-7-25-37(49)33(47)29-21(9-17(51-3)11-23(29)41)31(45)35(37,15-19(53-25)13-27(39)43)55-36-16-20(14-28(40)44)54-26(8-6-2)38(36,50)34(48)30-22(32(36)46)10-18(52-4)12-24(30)42/h9-12,19-20,25-26,41-42,49-50H,5-8,13-16H2,1-4H3,(H2,39,43)(H2,40,44)/t19-,20-,25-,26-,35+,36+,37+,38+/m1/s1
InChIKeyBHFIVAGXJHEBFL-IKLOEFKXSA-N
Species of MetaboliteComponentSourceComments
Nonomuraea (ncbitaxon:83681) - PubMed (25046128)
ChEBI Ontology
Outgoing Relation(s)
Hypogeamicin A (CHEBI:204795) is a benzochromenone (CHEBI:64986)
Hypogeamicin A (CHEBI:204795) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[(1R,3R,4aR,10aS)-4a-[[(1R,3R,4aR,10aS)-3-(2-amino-2-oxoethyl)-9,10a-dihydroxy-7-methoxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulanyl]-9,10a-dihydroxy-7-methoxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetamide
Manual XrefsDatabases
58113309ChemSpider