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CHEBI:215598 - Resinacein Q

Default Structure
ChEBI IDCHEBI:215598
ChEBI NameResinacein Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O8
Net Charge0
Average Mass544.685
Monoisotopic Mass544.30362
SMILESCOC(=O)C(C)C(O)C(=O)C[C@@H](C)[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/C31H44O8/c1-15(11-19(33)26(37)16(2)27(38)39-8)17-12-23(36)31(7)25-18(32)13-21-28(3,4)22(35)9-10-29(21,5)24(25)20(34)14-30(17,31)6/h15-17,21-22,26,35,37H,9-14H2,1-8H3/t15-,16?,17-,21?,22+,26?,29+,30-,31+/m1/s1
InChIKeyKSJXBRQBEVKVDR-RSCSFWRXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma resinaceum (ncbitaxon:34465) - PubMed (29490285)
ChEBI Ontology
Outgoing Relation(s)
Resinacein Q (CHEBI:215598) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl (6R)-3-hydroxy-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-oxoheptanoate
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78445651ChemSpider