CHEBI:191107 - Euphodendroidin e

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Euphodendroidin e
ChEBI ID CHEBI:191107
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H48O12
Net Charge 0
Average Mass 684.779
Monoisotopic Mass 684.31458
InChI InChI=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
InChIKey KYOXKUIYXAIFBB-AESUKSELSA-N
SMILES O[C@@]12[C@]([C@@H](OC(=O)C)[C@H](C1)C)([C@@H](OC(=O)C(C)C)C([C@H](OC(=O)C3=CC=CC=C3)[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C=C[C@@H](C2=O)C)(C)C)=C)[H]
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Manual Xref Database
9040627 ChemSpider
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