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CHEBI:202400 - 20-hydroxylucidenic acid E2

Default Structure
ChEBI IDCHEBI:202400
ChEBI Name20-hydroxylucidenic acid E2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O9
Net Charge0
Average Mass532.630
Monoisotopic Mass532.26723
SMILESCC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H](C(C)(O)CCC(=O)O)[C@@]12C
InChIInChI=1S/C29H40O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h16-18,24,32,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,18-,24+,26-,27?,28-,29-/m0/s1
InChIKeyJZZMIFMLEGZFJO-TYVNISONSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (15844948)
ChEBI Ontology
Outgoing Relation(s)
20-hydroxylucidenic acid E2 (CHEBI:202400) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4-[(3S,5R,10S,12S,13R,14R,17S)-12-acetyloxy-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]-4-hydroxypentanoic acid
Manual XrefsDatabases
9618843ChemSpider