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CHEBI:211693 - Tiancilactone B

ChEBI IDCHEBI:211693
ChEBI NameTiancilactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H45NO8
Net Charge0
Average Mass571.711
Monoisotopic Mass571.31452
SMILESCNc1ccccc1C(=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/C32H45NO8/c1-17-20(39-6)15-22-30(2)14-12-23(34)32(4,16-40-27(36)18-9-7-8-10-19(18)33-5)21(30)11-13-31(22,3)25(17)24-26(35)29(38)41-28(24)37/h7-10,17,20-23,25,28,33-35,37H,11-16H2,1-6H3/t17-,20+,21-,22-,23+,25-,28?,30+,31+,32+/m1/s1
InChIKeyCWPRIGWHYUKIHW-NHLPTZDRSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB03234 (ncbitaxon:1703937) - PubMed (29806086)
ChEBI Ontology
Outgoing Relation(s)
Tiancilactone B (CHEBI:211693) 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 2-(methylamino)benzoate