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CHEBI:200280 - Gloeophyllin E

Default Structure
ChEBI IDCHEBI:200280
ChEBI NameGloeophyllin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O6
Net Charge0
Average Mass528.730
Monoisotopic Mass528.34509
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@]4(C)C3=C[C@@H](OC(C)=O)[C@]12C)C(C)C
InChIInChI=1S/C32H48O6/c1-17(2)18(3)9-10-19(4)21-11-12-22-28-23(15-27(31(21,22)7)38-20(5)33)30(6)14-13-26(35)32(8,29(36)37)25(30)16-24(28)34/h15,17,19,21-22,25-28,35H,3,9-14,16H2,1-2,4-8H3,(H,36,37)/t19-,21-,22+,25-,26+,27-,28+,30-,31-,32+/m1/s1
InChIKeyJWNXGTYVLOAQEH-CRANYONASA-N
Species of MetaboliteComponentSourceComments
Gloeophyllum abietinum (ncbitaxon:180171) - PubMed (25915800)
ChEBI Ontology
Outgoing Relation(s)
Gloeophyllin E (CHEBI:200280) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,4S,5R,8S,10S,12R,13R,14S,17R)-12-acetyloxy-3-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-7-oxo-2,3,5,6,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid