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CHEBI:215127 - Tetrapetalone D

ChEBI IDCHEBI:215127
ChEBI NameTetrapetalone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO10
Net Charge0
Average Mass545.585
Monoisotopic Mass545.22610
SMILESCC(=O)OC(C)C12C=C(C)[C@@H]3[C@@H](C)[C@H](O[C@H]4CC[C@@H](O)[C@@H](C)O4)C4=CC(=O)C=C(N1C(=O)[C@](C)(O)C2=O)[C@@]43O
InChIInChI=1S/C28H35NO10/c1-12-11-27(15(4)38-16(5)30)24(33)26(6,35)25(34)29(27)20-10-17(31)9-18-23(13(2)22(12)28(18,20)36)39-21-8-7-19(32)14(3)37-21/h9-11,13-15,19,21-23,32,35-36H,7-8H2,1-6H3/t13-,14-,15?,19-,21+,22-,23+,26-,27?,28+/m1/s1
InChIKeyUYFGBRLWACYIFF-NWHUMWNPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (15118321)
ChEBI Ontology
Outgoing Relation(s)
Tetrapetalone D (CHEBI:215127) is a azepine (CHEBI:48105)
IUPAC Name 
1-[(4R,9S,10R,11S,16S)-4,16-dihydroxy-11-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-4,8,10-trimethyl-3,5,14-trioxo-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),7,12-trien-6-yl]ethyl acetate
Manual XrefsDatabases
78438074ChemSpider