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CHEBI:218979 - Integracide G

ChEBI IDCHEBI:218979
ChEBI NameIntegracide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H68O7
Net Charge0
Average Mass684.999
Monoisotopic Mass684.49650
SMILESC=C(CC[C@H](C)[C@@H]1CC=C2C3=C([C@H](O)[C@@H](OC(C)=O)[C@]21C)[C@]1(C)C[C@H](O)[C@@H](OC(=O)CCCCCCCCCO)C(C)(C)[C@H]1CC3)C(C)C
InChIInChI=1S/C42H68O7/c1-26(2)27(3)18-19-28(4)31-21-22-32-30-20-23-34-40(6,7)38(49-35(46)17-15-13-11-10-12-14-16-24-43)33(45)25-41(34,8)36(30)37(47)39(42(31,32)9)48-29(5)44/h22,26,28,31,33-34,37-39,43,45,47H,3,10-21,23-25H2,1-2,4-9H3/t28-,31-,33-,34+,37-,38+,39+,41+,42-/m0/s1
InChIKeyIGVGDAIOAPBYLG-OSFRGKOFSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1016/j.phytol.2015.12.010)
ChEBI Ontology
Outgoing Relation(s)
Integracide G (CHEBI:218979) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(2S,3S,5S,10R,11S,12S,13S,17S)-12-acetyloxy-2,11-dihydroxy-4,4,10,13-tetramethyl-17-[(2S)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 10-hydroxydecanoate
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