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CHEBI:205899 - Resinacein T

ChEBI IDCHEBI:205899
ChEBI NameResinacein T
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O5
Net Charge0
Average Mass418.574
Monoisotopic Mass418.27192
SMILESC[C@H](CO)C1=C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
InChIInChI=1S/C25H38O5/c1-13(12-26)14-9-19(30)25(6)21-15(27)10-17-22(2,3)18(29)7-8-23(17,4)20(21)16(28)11-24(14,25)5/h9,13,15,17-19,26-27,29-30H,7-8,10-12H2,1-6H3/t13-,15+,17+,18+,19+,23+,24-,25+/m1/s1
InChIKeyDWQITYXXLSIYTI-YFCUDECBSA-N
Species of MetaboliteComponentSourceComments
Ganoderma resinaceum (ncbitaxon:34465) - PubMed (31755308)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Resinacein T (CHEBI:205899) is a bile acid (CHEBI:3098)
IUPAC Name 
(3S,5R,7S,10S,13R,14R,15S)-3,7,15-trihydroxy-17-[(2S)-1-hydroxypropan-2-yl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,7,12,15-octahydrocyclopenta[a]phenanthren-11-one