EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226339 - GEX1Q4

ChEBI IDCHEBI:226339
ChEBI NameGEX1Q4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H42O7
Net Charge0
Average Mass454.604
Monoisotopic Mass454.29305
SMILESCO[C@H]([C@@H](C)[C@H]1O[C@]1(C)C[C@H](C)/C=C/C=C(\CO)[C@H]1O[C@@H](CC(=O)O)CC[C@@H]1C)[C@@H](C)O
InChIInChI=1S/C25H42O7/c1-15(13-25(5)24(32-25)17(3)23(30-6)18(4)27)8-7-9-19(14-26)22-16(2)10-11-20(31-22)12-21(28)29/h7-9,15-18,20,22-24,26-27H,10-14H2,1-6H3,(H,28,29)/b8-7+,19-9+/t15-,16+,17-,18-,20-,22+,23-,24-,25-/m1/s1
InChIKeyRTVDEACIRKOYGE-IJSUSIQISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12523818)
ChEBI Ontology
Outgoing Relation(s)
GEX1Q4 (CHEBI:226339) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
2-[(2R,5S,6S)-6-[(2E,4E,6S)-1-hydroxy-7-[(2R,3R)-3-[(2R,3R,4R)-4-hydroxy-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid
Manual XrefsDatabases
78437805ChemSpider