CHEBI:145905 - tellimagrandin II(1−)

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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 tellimagrandin II(1−)
ChEBI ID CHEBI:145905
ChEBI ASCII Name tellimagrandin II(1-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C41H28O26
Net Charge -2
Average Mass 936.650
Monoisotopic Mass 936.08798
InChI InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/p-2/t23-,33-,34+,35-,41+/m1/s1
InChIKey JCGHAEBIBSEQAD-UUUCSUBKSA-L
SMILES [C@@H]12COC(=O)C=3C(=C(C(=C(C3)O)O)O)C4=C(C(O[C@H]1[C@H](OC(C=5C=C(C(=C(C5)O)O)O)=O)[C@H]([C@@H](O2)OC(=O)C6=CC(=C(C(=C6)O)[O-])O)OC(=O)C=7C=C(C(=C(C7)O)O)O)=O)C=C(C(=C4[O-])O)O
ChEBI Ontology
Outgoing tellimagrandin II(1−) (CHEBI:145905) is a organic molecular entity (CHEBI:50860)
tellimagrandin II(1−) (CHEBI:145905) is conjugate base of eugeniin (CHEBI:4916)
Incoming eugeniin (CHEBI:4916) is conjugate acid of tellimagrandin II(1−) (CHEBI:145905)
Synonym Source
tellimagrandin II UniProt
Manual Xref Database
CPD-8949 MetaCyc accession
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Citation Waiting for Citations Type Source
12620341 PubMed citation SUBMITTER