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CHEBI:190849 - Tetronasin

ChEBI IDCHEBI:190849
ChEBI NameTetronasin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O8
Net Charge0
Average Mass602.809
Monoisotopic Mass602.38187
SMILES[H][C@@]1([C@@H](C)/C=C/[C@@H]2CC[C@@H](C)[C@H](/C(=C/[C@H]3CCC[C@@H](C)[C@]3([H])[C@H](C)C(O)=C3C(=O)COC3=O)CO)O2)O[C@@]([H])([C@H](C)OC)C[C@@H]1C
InChIInChI=1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36,38H,8-10,12,14-15,17-18H2,1-7H3/b13-11+,26-16+,32-31?/t19-,20+,21-,22+,23+,24+,25-,27-,29-,30-,33+,34-/m1/s1
InChIKeyXZJAKURZQBNKKX-ROSSAGPCSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Tetronasin (CHEBI:190849) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
3-[(2S)-1-hydroxy-2-[(1S,2S,6R)-2-[(E)-3-hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]but-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propylidene]oxolane-2,4-dione