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CHEBI:203342 - [(6S,7S,9E,12R)-12-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] (2E,4E,6E,8E,11R)-11-hydroxy-4,6,8-trimethyl-13-oxopentadeca-2,4,6,8-tetraenoate

ChEBI IDCHEBI:203342
ChEBI Name[(6S,7S,9E,12R)-12-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] (2E,4E,6E,8E,11R)-11-hydroxy-4,6,8-trimethyl-13-oxopentadeca-2,4,6,8-tetraenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H68O8
Net Charge0
Average Mass713.009
Monoisotopic Mass712.49142
SMILESCCC(=O)C[C@H](O)C/C=C(C)/C=C(C)/C=C(C)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C
InChIInChI=1S/C43H68O8/c1-11-37(45)27-38(46)18-15-28(2)21-31(5)22-29(3)17-20-43(49)50-40-13-12-14-42(48)51-41(19-16-30(4)23-34(40)8)35(9)25-32(6)24-33(7)39(47)26-36(10)44/h15-17,20-22,24,33-36,38-41,44,46-47H,11-14,18-19,23,25-27H2,1-10H3/b20-17+,28-15+,29-22+,30-16+,31-21+,32-24+/t33-,34+,35+,36-,38-,39-,40+,41-/m1/s1
InChIKeyZLTRKVJQLZPSSD-HPWHZWGRSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium liflandii (ncbitaxon:261524) - PubMed (20305830)
ChEBI Ontology
Outgoing Relation(s)
[(6S,7S,9E,12R)-12-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] (2E,4E,6E,8E,11R)-11-hydroxy-4,6,8-trimethyl-13-oxopentadeca-2,4,6,8-tetraenoate (CHEBI:203342) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(6S,7S,9E,12R)-12-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] (2E,4E,6E,8E,11R)-11-hydroxy-4,6,8-trimethyl-13-oxopentadeca-2,4,6,8-tetraenoate
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