CHEBI:184318 - 6-{4-[(E)-2-{4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl}ethenyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-{4-[(E)-2-{4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl}ethenyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:184318
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H34O14
Net Charge 0
Average Mass 666.632
Monoisotopic Mass 666.19486
InChI InChI=1S/C34H34O14/c1-14-8-20(19-7-5-17(35)12-23(19)37)26(32(43)44)21(9-14)27-24(38)10-15(11-25(27)39)2-3-16-4-6-18(13-22(16)36)47-34-30(42)28(40)29(41)31(48-34)33(45)46/h2-7,9-13,20-21,26,28-31,34-42H,8H2,1H3,(H,43,44)(H,45,46)/b3-2+
InChIKey MRMXMGQCEWCBPS-NSCUHMNNSA-N
SMILES OC(=O)C1C(CC(=CC1C2=C(O)C=C(C=C2O)/C=C/C3=C(O)C=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C3)C)C5=C(O)C=C(O)C=C5
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (FMA:67338). of strain Holstein-Friesian cattle [26105007] See: MetaboLights Study
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein-Friesian cattle [26105007] See: MetaboLights Study
ChEBI Ontology
Outgoing 6-{4-[(E)-2-{4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl}ethenyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184318) is a glycoside (CHEBI:24400)
6-{4-[(E)-2-{4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl}ethenyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184318) is a stilbenoid (CHEBI:26776)
IUPAC Name
6-[4-[(E)-2-[4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl]ethenyl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0126273 HMDB
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