8511 <common-name>RHUBARB ROOT (RHEUM SPP.)</common-name> <description nil="true"/> <cas>977039-94-3</cas> <pubchem-id nil="true"/> <chemical-formula>C61H50O30</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T02:25:10Z</created-at> <updated-at type="dateTime">2016-11-09T01:09:55Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>O=C1C2=CC=CC=C2C(=O)C2=CC=CC=C12.OCC1OC(OC2=CC(O)=CC3=C2C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O.OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1</moldb-smiles> <moldb-formula>C61H50O30</moldb-formula> <moldb-inchi>InChI=1S/C27H24O18.C20H18O10.C14H8O2/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10;21-6-12-16(25)18(27)19(28)20(30-12)29-11-5-7(22)4-9-14(11)17(26)13-8(15(9)24)2-1-3-10(13)23;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-6,17,21-23,27-38H,7H2;1-5,12,16,18-23,25,27-28H,6H2;1-8H</moldb-inchi> <moldb-inchikey>PHGJPSLONJXPGH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1263.041</moldb-average-mass> <moldb-mono-mass type="decimal">1262.23869021</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM007406</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>3,8-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione; 9,10-dihydroanthracene-9,10-dione; [3,5-dihydroxy-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate</iupac> </compound>