CHEBI:190751 - 6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:190751
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H46O15
Net Charge 0
Average Mass 826.848
Monoisotopic Mass 826.28367
InChI InChI=1S/C45H46O15/c1-20(2)4-10-27-31(48)13-12-28(42(27)59-45-41(56)39(54)40(55)43(60-45)44(57)58)38(53)36-29(26-11-9-25(47)19-33(26)50)14-21(3)15-30(36)37-34(51)16-22(17-35(37)52)5-6-23-7-8-24(46)18-32(23)49/h4-9,11-13,15-19,29-30,36,39-41,43,45-52,54-56H,10,14H2,1-3H3,(H,57,58)/b6-5+
InChIKey HGMSXJWQLNMCJR-AATRIKPKSA-N
SMILES O=C(C1C(CC(=CC1C2=C(O)C=C(C=C2O)/C=C/C3=C(O)C=C(O)C=C3)C)C4=C(O)C=C(O)C=C4)C5=C(OC6OC(C(O)C(O)C6O)C(O)=O)C(=C(O)C=C5)CC=C(C)C
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190751) is a glycoside (CHEBI:24400)
6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190751) is a stilbenoid (CHEBI:26776)
IUPAC Name
6-[6-[6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0126263 HMDB
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