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CHEBI:211991 - Gloeophyllin J

ChEBI IDCHEBI:211991
ChEBI NameGloeophyllin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O7
Net Charge0
Average Mass546.745
Monoisotopic Mass546.35565
SMILESC=C(CC[C@@H](C)[C@@H]1CCC(=O)[C@@]1(C)[C@H](C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)C(=O)O)OC(C)=O)C(C)C
InChIInChI=1S/C32H50O7/c1-18(2)19(3)9-10-20(4)22-11-14-26(35)31(22,7)28(39-21(5)33)17-23-24(34)12-13-25-30(23,6)16-15-27(36)32(25,8)29(37)38/h18,20,22-23,25,27-28,36H,3,9-17H2,1-2,4-8H3,(H,37,38)/t20-,22+,23-,25-,27+,28+,30-,31+,32+/m1/s1
InChIKeyHUAXMYCKJKYAPN-XTHFFBCUSA-N
Species of MetaboliteComponentSourceComments
Gloeophyllum abietinum (ncbitaxon:180171) - PubMed (25915800)
ChEBI Ontology
Outgoing Relation(s)
Gloeophyllin J (CHEBI:211991) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1S,2S,4aS,5S,8aR)-5-[(2S)-2-acetyloxy-2-[(1R,2S)-1-methyl-2-[(2R)-6-methyl-5-methylideneheptan-2-yl]-5-oxocyclopentyl]ethyl]-2-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid