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CHEBI:197971 - Tetrapetalone C

ChEBI IDCHEBI:197971
ChEBI NameTetrapetalone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33NO8
Net Charge0
Average Mass487.549
Monoisotopic Mass487.22062
SMILESCC[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)(O)C2=O)[C@@]43O
InChIInChI=1S/C26H33NO8/c1-6-25-11-12(2)20-13(3)21(35-19-8-7-17(29)14(4)34-19)16-9-15(28)10-18(26(16,20)33)27(25)23(31)24(5,32)22(25)30/h9-11,13-14,17,19-21,29,32-33H,6-8H2,1-5H3/t13-,14-,17-,19+,20-,21+,24-,25+,26+/m1/s1
InChIKeyYPOBBZYXYSNZKF-KAWSAFBHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15118321)
ChEBI Ontology
Outgoing Relation(s)
Tetrapetalone C (CHEBI:197971) is a azepine (CHEBI:48105)
IUPAC Name 
(4R,6S,9S,10R,11S,16S)-6-ethyl-4,16-dihydroxy-11-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-4,8,10-trimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),7,12-triene-3,5,14-trione
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9929902ChemSpider