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CHEBI:223410 - Integracide F

Default Structure
ChEBI IDCHEBI:223410
ChEBI NameIntegracide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O6
Net Charge0
Average Mass556.784
Monoisotopic Mass556.37639
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(C)=O)C(C)(C)[C@H]1CC3)C(C)C
InChIInChI=1S/C34H52O6/c1-18(2)19(3)11-12-20(4)24-14-15-25-23-13-16-27-32(7,8)30(39-21(5)35)26(37)17-33(27,9)28(23)29(38)31(34(24,25)10)40-22(6)36/h15,18,20,24,26-27,29-31,37-38H,3,11-14,16-17H2,1-2,4-10H3/t20-,24-,26-,27+,29-,30+,31+,33+,34-/m0/s1
InChIKeyGTJJCCFMWDWZHD-MHNSYPGMSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1016/j.phytol.2015.12.010)
ChEBI Ontology
Outgoing Relation(s)
Integracide F (CHEBI:223410) 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] acetate
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