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CHEBI:209366 - GEX1Q1

ChEBI IDCHEBI:209366
ChEBI NameGEX1Q1
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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(\C)[C@H]1O[C@@H](CC(=O)O)CC(O)[C@@H]1C)[C@@H](C)O
InChIInChI=1S/C25H42O7/c1-14(13-25(6)24(32-25)17(4)23(30-7)18(5)26)9-8-10-15(2)22-16(3)20(27)11-19(31-22)12-21(28)29/h8-10,14,16-20,22-24,26-27H,11-13H2,1-7H3,(H,28,29)/b9-8+,15-10+/t14-,16+,17-,18-,19-,20?,22-,23-,24-,25-/m1/s1
InChIKeyHMVDRJCEIAATNJ-ZNLFPWLXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12523818)
ChEBI Ontology
Outgoing Relation(s)
GEX1Q1 (CHEBI:209366) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
2-[(2R,5S,6S)-4-hydroxy-6-[(2E,4E,6S)-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
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78437389ChemSpider