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CHEBI:222290 - Ganoderic acid Σ

Default Structure
ChEBI IDCHEBI:222290
ChEBI NameGanoderic acid Σ
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O7
Net Charge0
Average Mass516.675
Monoisotopic Mass516.30870
SMILESCC(=CCCC(C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(CO)[C@@H]1CC3)C(=O)O
InChIInChI=1S/C30H44O7/c1-17(25(35)36)8-7-12-29(5,37)21-14-23(34)30(6)18-9-10-20-26(2,13-11-22(33)27(20,3)16-31)24(18)19(32)15-28(21,30)4/h8,20-21,23,31,34,37H,7,9-16H2,1-6H3,(H,35,36)/t20-,21+,23+,26+,27?,28-,29?,30-/m1/s1
InChIKeySKTWPLRWZJQPGR-HQSRWKRESA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.1016/j.tetlet.2016.10.072)
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid Σ (CHEBI:222290) is a triterpenoid (CHEBI:36615)
IUPAC Name 
6-hydroxy-6-[(5R,10S,13R,14R,15S,17S)-15-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid