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CHEBI:218502 - Thermolide E

ChEBI IDCHEBI:218502
ChEBI NameThermolide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H53NO8
Net Charge0
Average Mass531.731
Monoisotopic Mass531.37712
SMILESCC(C)[C@H]1NC(=O)C[C@@H](O)C[C@H](O)[C@H](C)C[C@@H](C)[C@H]([C@@H](C)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C[C@H](C)O)OC1=O
InChIInChI=1S/C28H53NO8/c1-14(2)25-28(36)37-27(17(5)9-15(3)22(32)12-21(31)13-24(34)29-25)18(6)10-16(4)26(35)20(8)23(33)11-19(7)30/h14-23,25-27,30-33,35H,9-13H2,1-8H3,(H,29,34)/t15-,16+,17-,18+,19+,20-,21+,22+,23-,25-,26+,27-/m1/s1
InChIKeySKLALQBGVCJHSK-PNXMFPEBSA-N
Species of MetaboliteComponentSourceComments
Thermomyces dupontii (ncbitaxon:28565) - PubMed (23210772)
ChEBI Ontology
Outgoing Relation(s)
Thermolide E (CHEBI:218502) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(3R,7S,9S,10R,12R,13R)-7,9-dihydroxy-10,12-dimethyl-3-propan-2-yl-13-[(2S,4S,5S,6R,7R,9S)-5,7,9-trihydroxy-4,6-dimethyldecan-2-yl]-1-oxa-4-azacyclotridecane-2,5-dione
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