EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225330 - Yangpumicin G

ChEBI IDCHEBI:225330
ChEBI NameYangpumicin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H17NO7
Net Charge0
Average Mass455.422
Monoisotopic Mass455.10050
SMILESO=C1c2ccccc2C(=O)c2c3c(cc(O)c21)[C@@]12O[C@@]1([C@H](O)CO)[C@H](C#CC=CC#C[C@H]2O)N3
InChIInChI=1S/C26H17NO7/c28-12-19(31)26-17-9-3-1-2-4-10-18(30)25(26,34-26)15-11-16(29)20-21(22(15)27-17)24(33)14-8-6-5-7-13(14)23(20)32/h1-2,5-8,11,17-19,27-31H,12H2/t17-,18+,19+,25-,26+/m0/s1
InChIKeyLPUJFXOPSMZKRQ-STFMBBBNSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (31490685)
ChEBI Ontology
Outgoing Relation(s)
Yangpumicin G (CHEBI:225330) is a 6-hydroxy steroid (CHEBI:36849)
IUPAC Name 
(1S,17S,24R,26R)-26-[(1R)-1,2-dihydroxyethyl]-4,24-dihydroxy-25-oxa-16-azahexacyclo[15.7.2.01,26.02,15.05,14.07,12]hexacosa-2,4,7,9,11,14,20-heptaen-18,22-diyne-6,13-dione