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CHEBI:214960 - Xanthobaccin A

ChEBI IDCHEBI:214960
ChEBI NameXanthobaccin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38N2O6
Net Charge0
Average Mass510.631
Monoisotopic Mass510.27299
SMILESCC[C@H]1C[C@@H]2C[C@@H]3[C@@H]4C/C=C\C(=O)NCCC(O)C5NC(=O)/C(=C(O)/C=C\[C@H]4CC(=O)[C@@H]3[C@@H]2[C@H]1C)C5=O
InChIInChI=1S/C29H38N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21,24-25,27,32-33H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7-,26-20-/t14-,15-,16-,17+,18+,19+,21?,24+,25+,27?/m0/s1
InChIKeyGXFBXYRIFPTSTH-RJFOPRKGSA-N
Species of MetaboliteComponentSourceComments
Stenotrophomonasspecies (ncbitaxon:69392) - DOI (10.1016/s0040-4039(99)00336-6)
ChEBI Ontology
Outgoing Relation(s)
Xanthobaccin A (CHEBI:214960) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1Z,3Z,5R,8S,9S,10S,11S,13R,15R,16R,18Z)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone
Manual XrefsDatabases
111307124ChemSpider