CHEBI:190849 - Tetronasin

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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 Tetronasin
ChEBI ID CHEBI:190849
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H54O8
Net Charge 0
Average Mass 602.809
Monoisotopic Mass 602.38187
InChI InChI=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
InChIKey XZJAKURZQBNKKX-ROSSAGPCSA-N
SMILES O1[C@@H](\C(=C\[C@@H]2[C@]([C@@H](CCC2)C)([C@H](C)C(O)=C3C(=O)COC3=O)[H])\CO)[C@@H](CC[C@H]1\C=C\[C@@H]([C@@]4(O[C@](C[C@@H]4C)([C@@H](OC)C)[H])[H])C)C
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 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