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CHEBI:207608 - Gloeophyllin L

ChEBI IDCHEBI:207608
ChEBI NameGloeophyllin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O3
Net Charge0
Average Mass440.668
Monoisotopic Mass440.32905
SMILESC=C1[C@@H]([C@H](C)CCC=C(C)C)CC[C@H]2C3=C(C[C@@H]12)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)C1CC3
InChIInChI=1S/C29H44O3/c1-17(2)8-7-9-18(3)20-10-11-21-22-12-13-25-28(5,24(22)16-23(21)19(20)4)15-14-26(30)29(25,6)27(31)32/h8,18,20-21,23,25-26,30H,4,7,9-16H2,1-3,5-6H3,(H,31,32)/t18-,20-,21+,23+,25?,26+,28-,29+/m1/s1
InChIKeyYUEXLVNRFHBHKG-SPIXXTTNSA-N
Species of MetaboliteComponentSourceComments
Gloeophyllum odoratum (ncbitaxon:139427) - PubMed (30130818)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Gloeophyllin L (CHEBI:207608) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name 
(3S,4S,6bR,9R,10aR,11bS)-3-hydroxy-4,11b-dimethyl-9-[(2R)-6-methylhept-5-en-2-yl]-10-methylidene-1,2,3,4a,5,6,6b,7,8,9,10a,11-dodecahydrobenzo[a]luorene-4-carboxylic acid