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CHEBI:191107 - Euphodendroidin e

ChEBI IDCHEBI:191107
ChEBI NameEuphodendroidin e
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H48O12
Net Charge0
Average Mass684.779
Monoisotopic Mass684.31458
SMILES[H][C@@]12[C@@H](OC(=O)C(C)C)C(=C)[C@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]1(O)C[C@H](C)[C@@H]2OC(C)=O
InChIInChI=1S/C37H48O12/c1-19(2)34(42)48-29-22(5)30(49-35(43)26-14-12-11-13-15-26)31(46-24(7)39)33(47-25(8)40)36(9,10)17-16-20(3)32(41)37(44)18-21(4)28(27(29)37)45-23(6)38/h11-17,19-21,27-31,33,44H,5,18H2,1-4,6-10H3/b17-16+/t20-,21-,27+,28-,29-,30-,31+,33+,37+/m0/s1
InChIKeyKYOXKUIYXAIFBB-AESUKSELSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Euphodendroidin e (CHEBI:191107) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,9,10-triacetyloxy-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-13-(2-methylpropanoyloxy)-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-11-yl] benzoate
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