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CHEBI:197949 - Thermolide D

ChEBI IDCHEBI:197949
ChEBI NameThermolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H49NO8
Net Charge0
Average Mass503.677
Monoisotopic Mass503.34582
SMILESC[C@@H]([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)[C@H](O)C[C@H](C)O
InChIInChI=1S/C26H49NO8/c1-13-8-15(3)25(16(4)9-14(2)24(33)18(6)22(31)10-17(5)28)35-26(34)19(7)27-23(32)12-20(29)11-21(13)30/h13-22,24-25,28-31,33H,8-12H2,1-7H3,(H,27,32)/t13-,14+,15-,16+,17+,18-,19-,20+,21+,22-,24+,25-/m1/s1
InChIKeyYTSFNNAINMASAI-JDRBGDJTSA-N
Species of MetaboliteComponentSourceComments
Thermomyces dupontii (ncbitaxon:28565) - PubMed (23210772)
ChEBI Ontology
Outgoing Relation(s)
Thermolide D (CHEBI:197949) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(3R,7S,9S,10R,12R,13R)-7,9-dihydroxy-3,10,12-trimethyl-13-[(2S,4S,5S,6R,7R,9S)-5,7,9-trihydroxy-4,6-dimethyldecan-2-yl]-1-oxa-4-azacyclotridecane-2,5-dione
Manual XrefsDatabases
78440703ChemSpider