EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210319 - Thermolide F

ChEBI IDCHEBI:210319
ChEBI NameThermolide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H59NO9
Net Charge0
Average Mass601.822
Monoisotopic Mass601.41898
SMILESCC(=O)O[C@H]([C@H](C)C[C@H](C)[C@H](O)[C@H](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/C32H59NO9/c1-16-11-18(3)31(42-32(40)23(8)33-28(38)15-26(36)14-27(16)37)21(6)13-20(5)30(41-25(10)35)19(4)12-17(2)29(39)22(7)24(9)34/h16-24,26-27,29-31,34,36-37,39H,11-15H2,1-10H3,(H,33,38)/t16-,17+,18-,19-,20+,21+,22-,23-,24-,26+,27+,29+,30-,31-/m1/s1
InChIKeyQZLGIODWRGGKBZ-FLZSYNRXSA-N
Species of MetaboliteComponentSourceComments
Thermomyces dupontii (ncbitaxon:28565) - PubMed (23210772)
ChEBI Ontology
Outgoing Relation(s)
Thermolide F (CHEBI:210319) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(2S,4S,5R,6R,8S,9S,10R,11R)-2-[(3R,7S,9S,10R,12R,13R)-7,9-dihydroxy-3,10,12-trimethyl-2,5-dioxo-1-oxa-4-azacyclotridec-13-yl]-9,11-dihydroxy-4,6,8,10-tetramethyldodecan-5-yl] acetate
Manual XrefsDatabases
78441096ChemSpider