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CHEBI:199211 - 3R,5R,6S,7E,9R-megastigman-7-en-3,5,6,9-tetrol-9-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside

ChEBI IDCHEBI:199211
ChEBI Name3R,5R,6S,7E,9R-megastigman-7-en-3,5,6,9-tetrol-9-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42O13
Net Charge0
Average Mass538.587
Monoisotopic Mass538.26254
SMILESC[C@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O
InChIInChI=1S/C24H42O13/c1-12(5-6-24(33)21(2,3)7-13(27)8-22(24,4)31)35-19-17(16(29)15(28)14(9-25)36-19)37-20-18(30)23(32,10-26)11-34-20/h5-6,12-20,25-33H,7-11H2,1-4H3/b6-5+/t12-,13-,14-,15-,16+,17-,18+,19-,20+,22-,23-,24+/m1/s1
InChIKeyUMFFAJRUJZBSLP-OYCJCDMGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies YIM 63342 (ncbitaxon:630979) - PubMed (22934740)
ChEBI Ontology
Outgoing Relation(s)
3R,5R,6S,7E,9R-megastigman-7-en-3,5,6,9-tetrol-9-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside (CHEBI:199211) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(1S,2R,4R)-1-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-2,6,6-trimethylcyclohexane-1,2,4-triol
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