EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215563 - Resinacein K

Default Structure
ChEBI IDCHEBI:215563
ChEBI NameResinacein K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O7
Net Charge0
Average Mass512.643
Monoisotopic Mass512.27740
SMILESC/C(=C/C(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
InChIInChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18,21-22,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-/t16?,18-,21?,22+,28+,29-,30+/m1/s1
InChIKeySXBOKJLQZQAVPU-MRRHUKJASA-N
Species of MetaboliteComponentSourceComments
Ganoderma resinaceum (ncbitaxon:34465) - PubMed (29490285)
ChEBI Ontology
Outgoing Relation(s)
Resinacein K (CHEBI:215563) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z)-6-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid
Manual XrefsDatabases
58802237ChemSpider