CHEBI:143756 - methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4H-pyran-3-carboxylate

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ChEBI Name methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4H-pyran-3-carboxylate
ChEBI ID CHEBI:143756
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C31H42O17
Net Charge 0
Average Mass 686.656
Monoisotopic Mass 686.242
InChI InChI=1S/C31H42O17/c1-3-16-17(10-21(34)43-9-8-14-4-6-15(33)7-5-14)18(28(41)42-2)12-44-29(16)48-31-27(40)25(38)23(36)20(47-31)13-45-30-26(39)24(37)22(35)19(11-32)46-30/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3-/t17-,19?,20?,22?,23?,24?,25?,26?,27?,29-,30?,31?/m0/s1
InChIKey FVQYDVAAZIXQID-HNZYNQOQSA-N
SMILES O=C(OC)C1=CO[C@@H](OC2OC(C(O)C(C2O)O)COC3OC(C(O)C(C3O)O)CO)\C(\[C@@H]1CC(=O)OCCC4=CC=C(O)C=C4)=C/C
Metabolite of Species Details
Bathymodiolus (NCBI:txid12965) Found in gill filament {BTO:0002150 See: MetaboLights Study
ChEBI Ontology
Outgoing methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4H-pyran-3-carboxylate (CHEBI:143756) is a terpene glycoside (CHEBI:61777)