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CHEBI:211967 - Chloroxaloterpin B

ChEBI IDCHEBI:211967
ChEBI NameChloroxaloterpin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36ClNO3
Net Charge0
Average Mass470.053
Monoisotopic Mass469.23837
SMILESC=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3C(C)(C)[C@H](OC(=O)C(=O)Nc4ccccc4Cl)CC[C@@]23C)C1
InChIInChI=1S/C28H36ClNO3/c1-6-27(4)15-13-19-18(17-27)11-12-22-26(2,3)23(14-16-28(19,22)5)33-25(32)24(31)30-21-10-8-7-9-20(21)29/h6-10,13,18,22-23H,1,11-12,14-17H2,2-5H3,(H,30,31)/t18-,22+,23+,27-,28-/m0/s1
InChIKeyMABPSQDNRJABQI-VNMIWZKSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27794606)
ChEBI Ontology
Outgoing Relation(s)
Chloroxaloterpin B (CHEBI:211967) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(2R,4aR,7S,8aS,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-2-yl] 2-(2-chloroanilino)-2-oxoacetate