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CHEBI:227556 - Irpeksolactin A

ChEBI IDCHEBI:227556
ChEBI NameIrpeksolactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O5
Net Charge0
Average Mass500.720
Monoisotopic Mass500.35017
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)c3ccc(C)c(CCC(O)C(C)(C)O)c3CC[C@]12C)C(C)C
InChIInChI=1S/C31H48O5/c1-18(2)19(3)9-11-23(28(34)35)27-25(32)17-31(8)24-13-10-20(4)21(12-14-26(33)29(5,6)36)22(24)15-16-30(27,31)7/h10,13,18,23,25-27,32-33,36H,3,9,11-12,14-17H2,1-2,4-8H3,(H,34,35)/t23-,25-,26?,27+,30-,31+/m1/s1
InChIKeyFMJDOWUEKWBQJM-QDTGFIGDSA-N
Species of MetaboliteComponentSourceComments
Irpex lacteus (ncbitaxon:5319) - PubMed (30851507)
ChEBI Ontology
Outgoing Relation(s)
Irpeksolactin A (CHEBI:227556) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R)-2-[(2R,3R,3aR,9bR)-6-(3,4-dihydroxy-4-methylpentyl)-2-hydroxy-3a,7,9b-trimethyl-2,3,4,5-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid