CHEBI:227585 - Irpeksolactin G

ChEBI IDCHEBI:227585
ChEBI NameIrpeksolactin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O6
Net Charge0
Average Mass498.660
Monoisotopic Mass498.29814
SMILESCC(C)=CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)[C@]34C=C[C@@]5(OO3)C(C)(C)C(=O)CC[C@]5(C)C4=CC[C@]12C
InChIInChI=1S/C30H42O6/c1-18(2)9-8-10-19(24(33)34)23-20(31)17-28(7)27(23,6)13-11-21-26(5)14-12-22(32)25(3,4)30(26)16-15-29(21,28)35-36-30/h9,11,15-16,19-20,23,31H,8,10,12-14,17H2,1-7H3,(H,33,34)/t19-,20-,23+,26-,27-,28-,29-,30-/m1/s1
InChIKeyWFBQHPZHJVDGRG-NBVDQKRCSA-N
Species of MetaboliteComponentSourceComments
Irpex lacteus (ncbitaxon:5319) - PubMed (30851507)
ChEBI Ontology
Outgoing Relation(s)
Irpeksolactin G (CHEBI:227585) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(1S,2R,4R,5R,6R,10R,15S)-4-hydroxy-2,6,10,14,14-pentamethyl-13-oxo-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-5-yl]-6-methylhept-5-enoic acid