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CHEBI:197000 - Phaseolus epsilon

ChEBI IDCHEBI:197000
ChEBI NamePhaseolus epsilon
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O12
Net Charge0
Average Mass526.535
Monoisotopic Mass526.20503
SMILES[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O)[C@@]1([H])[C@@]23C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@]1(C)C(=O)O3
InChIInChI=1S/C25H34O12/c1-9-5-23-8-24(9,34)4-3-12(23)25-6-10(35-20-16(29)15(28)14(27)11(7-26)36-20)18(30)22(2,21(33)37-25)17(25)13(23)19(31)32/h10-18,20,26-30,34H,1,3-8H2,2H3,(H,31,32)/t10-,11+,12+,13+,14+,15-,16+,17+,18-,20+,22-,23-,24-,25+/m0/s1
InChIKeyRWSSUUKUVKNZLZ-AWWNFJCHSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Phaseolus epsilon (CHEBI:197000) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(1R,2R,5S,8S,9S,10R,11S,12R,13S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-13-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Manual XrefsDatabases
HMDB0035039HMDB
10374134ChemSpider