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CHEBI:211687 - Tiancilactone A

ChEBI IDCHEBI:211687
ChEBI NameTiancilactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44ClNO8
Net Charge0
Average Mass606.156
Monoisotopic Mass605.27555
SMILESCNc1ccc(Cl)cc1C(=O)OC[C@@]1(C)[C@@H]2CC[C@@]3(C)[C@H](C[C@H](OC)[C@@H](C)[C@@H]3C3=C(O)C(=O)OC3O)[C@@]2(C)CC[C@@H]1O
InChIInChI=1S/C32H44ClNO8/c1-16-20(40-6)14-22-30(2)12-10-23(35)32(4,15-41-27(37)18-13-17(33)7-8-19(18)34-5)21(30)9-11-31(22,3)25(16)24-26(36)29(39)42-28(24)38/h7-8,13,16,20-23,25,28,34-36,38H,9-12,14-15H2,1-6H3/t16-,20+,21-,22-,23+,25-,28?,30+,31+,32+/m1/s1
InChIKeyGNSYIALHMCPNOO-WFNNRHMCSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB03234 (ncbitaxon:1703937) - PubMed (29806086)
ChEBI Ontology
Outgoing Relation(s)
Tiancilactone A (CHEBI:211687) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(1R,2S,4aR,4bR,6S,7S,8S,8aS,10aR)-8-(2,4-dihydroxy-5-oxo-2H-uran-3-yl)-2-hydroxy-6-methoxy-1,4a,7,8a-tetramethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-1-yl]methyl 5-chloro-2-(methylamino)benzoate