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CHEBI:192055 - Isophysalin G

ChEBI IDCHEBI:192055
ChEBI NameIsophysalin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O10
Net Charge0
Average Mass526.538
Monoisotopic Mass526.18390
SMILES[H][C@]12C=CC3=C[C@@H](O)CC(=O)[C@]3(C)[C@]1([H])CC[C@@]1(O)C(=O)O[C@]3(C)[C@@]14O[C@@]21OC[C@]2([H])C(=O)O[C@@]3([H])C[C@]2(C)[C@@]4([H])C1=O
InChIInChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3/t13-,14-,15+,16?,18+,19-,23+,24+,25+,26?,27?,28?/m1/s1
InChIKeyJMNMXSXLYDOMTI-AEEQHBTFSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Isophysalin G (CHEBI:192055) is a physalin (CHEBI:76361)
IUPAC Name 
(1R,2S,5R,8S,9R,12S,17R,18R,21S,24R,26S,27S)-5,12-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-13,15-diene-4,10,22,29-tetrone
Manual XrefsDatabases
24710172ChemSpider