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CHEBI:199120 - Thermolide A

ChEBI IDCHEBI:199120
ChEBI NameThermolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H51NO9
Net Charge0
Average Mass545.714
Monoisotopic Mass545.35638
SMILESCC(=O)O[C@H](C[C@H](C)O)[C@@H](C)[C@@H](O)[C@@H](C)C[C@H](C)[C@@H]1OC(=O)[C@@H](C)NC(=O)C[C@@H](O)C[C@H](O)[C@H](C)C[C@H]1C
InChIInChI=1S/C28H51NO9/c1-14-9-16(3)27(38-28(36)20(7)29-25(34)13-22(32)12-23(14)33)17(4)10-15(2)26(35)19(6)24(11-18(5)30)37-21(8)31/h14-20,22-24,26-27,30,32-33,35H,9-13H2,1-8H3,(H,29,34)/t14-,15+,16-,17+,18+,19-,20-,22+,23+,24-,26+,27-/m1/s1
InChIKeyHMYRAUOVQSYXLR-TXPIBJMNSA-N
Species of MetaboliteComponentSourceComments
Thermomyces dupontii (ncbitaxon:28565) - PubMed (23210772)
ChEBI Ontology
Outgoing Relation(s)
Thermolide A (CHEBI:199120) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(2S,4R,5S,6S,7S,9S)-9-[(3R,7S,9S,10R,12R,13R)-7,9-dihydroxy-3,10,12-trimethyl-2,5-dioxo-1-oxa-4-azacyclotridec-13-yl]-2,6-dihydroxy-5,7-dimethyldecan-4-yl] acetate
Manual XrefsDatabases
78440766ChemSpider