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CHEBI:206991 - GEX1Q3

Default Structure
ChEBI IDCHEBI:206991
ChEBI NameGEX1Q3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O12
Net Charge0
Average Mass614.729
Monoisotopic Mass614.33023
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[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@H]1C)[C@@H](C)O
InChIInChI=1S/C31H50O12/c1-15(14-31(6)28(43-31)18(4)26(39-7)19(5)32)9-8-10-16(2)25-17(3)11-12-20(40-25)13-21(33)41-30-24(36)22(34)23(35)27(42-30)29(37)38/h8-10,15,17-20,22-28,30,32,34-36H,11-14H2,1-7H3,(H,37,38)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22+,23+,24-,25-,26-,27+,28-,30-,31-/m1/s1
InChIKeyAYMYUCNZABRFKF-QAFHNNTESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12523818)
ChEBI Ontology
Outgoing Relation(s)
GEX1Q3 (CHEBI:206991) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,5S,6S)-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]acetyl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
78437323ChemSpider