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CHEBI:216959 - Thermolide C

ChEBI IDCHEBI:216959
ChEBI NameThermolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H51NO9
Net Charge0
Average Mass545.714
Monoisotopic Mass545.35638
SMILESCC(=O)O[C@H]([C@H](C)[C@H](O)C[C@H](C)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/c1-14-9-15(2)26(38-28(36)20(7)29-25(35)13-22(32)12-23(14)33)16(3)10-17(4)27(37-21(8)31)19(6)24(34)11-18(5)30/h14-20,22-24,26-27,30,32-34H,9-13H2,1-8H3,(H,29,35)/t14-,15-,16+,17+,18+,19-,20-,22+,23+,24-,26-,27+/m1/s1
InChIKeyUFROECYXXJIXJH-YOBXMYOWSA-N
Species of MetaboliteComponentSourceComments
Thermomyces dupontii (ncbitaxon:28565) - PubMed (23210772)
ChEBI Ontology
Outgoing Relation(s)
Thermolide C (CHEBI:216959) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(2S,4S,5S,6R,7R,9S)-2-[(3R,7S,9S,10R,12R,13R)-7,9-dihydroxy-3,10,12-trimethyl-2,5-dioxo-1-oxa-4-azacyclotridec-13-yl]-7,9-dihydroxy-4,6-dimethyldecan-5-yl] acetate
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78441157ChemSpider