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CHEBI:200714 - Tetrapetalone B

ChEBI IDCHEBI:200714
ChEBI NameTetrapetalone B
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SubmitterMetaboLights
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FormulaC28H35NO9
Net Charge0
Average Mass529.586
Monoisotopic Mass529.23118
SMILESCC(=O)OC(C)[C@@]12C=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)=C2O)[C@@]43O
InChIInChI=1S/C28H35NO9/c1-12-11-27(16(5)37-17(6)30)25(33)14(3)26(34)29(27)21-10-18(31)9-19-24(13(2)23(12)28(19,21)35)38-22-8-7-20(32)15(4)36-22/h9-11,13,15-16,20,22-24,32-33,35H,7-8H2,1-6H3/t13-,15-,16?,20-,22+,23-,24+,27-,28+/m1/s1
InChIKeyPDESUVPLPIOXLG-QABKPCNZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (15118321)
ChEBI Ontology
Outgoing Relation(s)
Tetrapetalone B (CHEBI:200714) is a azepine (CHEBI:48105)
IUPAC Name 
1-[(6R,9S,10R,11S,16S)-5,16-dihydroxy-11-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-4,8,10-trimethyl-3,14-dioxo-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),4,7,12-tetraen-6-yl]ethyl acetate
Manual XrefsDatabases
78436656ChemSpider