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CHEBI:205260 - Gephyronic acid (hemiketal)

ChEBI IDCHEBI:205260
ChEBI NameGephyronic acid (hemiketal)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H46O7
Net Charge0
Average Mass470.647
Monoisotopic Mass470.32435
SMILESCO[C@H]1[C@H](C)[C@H](CC(=O)O)O[C@@](O)([C@@H](C)C[C@H](C)[C@H](O)[C@@]2(C)O[C@@H]2[C@@H](C)C=C(C)C)C1(C)C
InChIInChI=1S/C26H46O7/c1-14(2)11-16(4)22-25(9,33-22)21(29)15(3)12-17(5)26(30)24(7,8)23(31-10)18(6)19(32-26)13-20(27)28/h11,15-19,21-23,29-30H,12-13H2,1-10H3,(H,27,28)/t15-,16-,17-,18+,19-,21-,22+,23-,25+,26-/m0/s1
InChIKeyABLGLEMPOXGHOL-LSACBJEOSA-N
Species of MetaboliteComponentSourceComments
Archangium gephyra (ncbitaxon:48) - PubMed (21246696)
ChEBI Ontology
Outgoing Relation(s)
Gephyronic acid (hemiketal) (CHEBI:205260) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
2-[(2S,3R,4S,6S)-6-hydroxy-6-[(2S,4S,5S)-5-hydroxy-4-methyl-5-[(2R,3R)-2-methyl-3-[(2S)-4-methylpent-3-en-2-yl]oxiran-2-yl]pentan-2-yl]-4-methoxy-3,5,5-trimethyloxan-2-yl]acetic acid
Manual XrefsDatabases
78439696ChemSpider