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CHEBI:213071 - Thermolide G

ChEBI IDCHEBI:213071
ChEBI NameThermolide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H63NO9
Net Charge0
Average Mass629.876
Monoisotopic Mass629.45028
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(C)C)NC(=O)C[C@@H](O)C[C@H](O)[C@H](C)C[C@H]1C
InChIInChI=1S/C34H63NO9/c1-17(2)30-34(42)44-33(20(5)12-18(3)28(39)15-27(38)16-29(40)35-30)23(8)14-22(7)32(43-26(11)37)21(6)13-19(4)31(41)24(9)25(10)36/h17-25,27-28,30-33,36,38-39,41H,12-16H2,1-11H3,(H,35,40)/t18-,19+,20-,21-,22+,23+,24-,25-,27+,28+,30-,31+,32-,33-/m1/s1
InChIKeyJAJRQLULKMSNOP-HGEKJXHYSA-N
Species of MetaboliteComponentSourceComments
Thermomyces dupontii (ncbitaxon:28565) - PubMed (24999817)
ChEBI Ontology
Outgoing Relation(s)
Thermolide G (CHEBI:213071) 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-10,12-dimethyl-2,5-dioxo-3-propan-2-yl-1-oxa-4-azacyclotridec-13-yl]-9,11-dihydroxy-4,6,8,10-tetramethyldodecan-5-yl] acetate
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78438026ChemSpider