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CHEBI:227575 - Irpeksolactin E

Default Structure
ChEBI IDCHEBI:227575
ChEBI NameIrpeksolactin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILESCC(C)=CCC[C@@H](C(=O)O)[C@H]1[C@H](O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C30H46O5/c1-17(2)9-8-10-18(26(34)35)23-24(32)25(33)30(7)20-11-12-21-27(3,4)22(31)14-15-28(21,5)19(20)13-16-29(23,30)6/h9,11,13,18,21-25,31-33H,8,10,12,14-16H2,1-7H3,(H,34,35)/t18-,21+,22+,23+,24+,25+,28-,29-,30-/m1/s1
InChIKeyGHDTVZBJGVDJSG-CQLUYZPHSA-N
Species of MetaboliteComponentSourceComments
Irpex lacteus (ncbitaxon:5319) - PubMed (30851507)
ChEBI Ontology
Outgoing Relation(s)
Irpeksolactin E (CHEBI:227575) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-6-methyl-2-[(3S,5R,10S,13R,14R,15R,16S,17R)-3,15,16-trihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid