CHEBI:176127 - Terniflorin

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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 Terniflorin
ChEBI ID CHEBI:176127
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H26O12
Net Charge 0
Average Mass 578.526
Monoisotopic Mass 578.14243
InChI InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+
InChIKey WPQRDUGBKUNFJW-XCVCLJGOSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)/C=C/C5=CC=C(O)C=C5
ChEBI Ontology
Outgoing Terniflorin (CHEBI:176127) is a flavonoids (CHEBI:72544)
Terniflorin (CHEBI:176127) is a glycoside (CHEBI:24400)
IUPAC Name
[3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual Xref Database
HMDB0037347 HMDB
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