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CHEBI:218104 - Ganoleucoin U

Default Structure
ChEBI IDCHEBI:218104
ChEBI NameGanoleucoin U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O10
Net Charge0
Average Mass586.678
Monoisotopic Mass586.27780
SMILESCC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3[C@@](C)(CO)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)C[C@H](O)/C=C(\C)C(=O)O)[C@@]12C
InChIInChI=1S/C32H42O10/c1-15(10-18(35)11-16(2)28(40)41)19-12-23(38)32(7)24-20(36)13-21-29(4,9-8-22(37)30(21,5)14-33)25(24)26(39)27(31(19,32)6)42-17(3)34/h11,15,18-19,21,27,33,35H,8-10,12-14H2,1-7H3,(H,40,41)/b16-11+/t15-,18+,19-,21-,27-,29+,30-,31+,32+/m1/s1
InChIKeyOKSZMXGJWFDGLW-XRQJCLDNSA-N
Species of MetaboliteComponentSourceComments
Ganoderma leucocontextum (ncbitaxon:1566825) - PubMed (30145334)
ChEBI Ontology
Outgoing Relation(s)
Ganoleucoin U (CHEBI:218104) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,4S,6R)-6-[(4S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid