1.0 2010-04-08 22:13:22 UTC 2019-11-26 03:15:23 UTC FDB017885 Rheidin C Isolated from rhubarb roots. Rheidin C is found in green vegetables. Reidin C Rheidin C C31H22O9 538.501 538.126382302 9-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-carboxylic acid 9-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(C)C=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O InChI=1S/C31H22O9/c1-12-6-16-24(18-10-14(40-2)11-22(35)28(18)30(37)26(16)20(33)7-12)23-15-4-3-5-19(32)25(15)29(36)27-17(23)8-13(31(38)39)9-21(27)34/h3-11,23-24,32-35H,1-2H3,(H,38,39) NJQDJYRXLQEGRB-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. Anthracenecarboxylic acids Organic compounds Benzenoids Anthracenes Anthracenecarboxylic acids and derivatives Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl ketones Carboxylic acids Hydrocarbon derivatives Hydroxybenzoic acid derivatives Monocarboxylic acids and derivatives Naphthalenecarboxylic acids Organic oxides Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-naphthalenecarboxylic acid 2-naphthalenecarboxylic acid or derivatives Alkyl aryl ether Anisole Anthracene carboxylic acid Aromatic homopolycyclic compound Aryl ketone Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Hydroxybenzoic acid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Vinylogous acid logp 4.26 ALOGPS logs -5.10 ALOGPS solubility 4.27e-03 g/l ALOGPS logp 7.72 ChemAxon pka_strongest_acidic 3.53 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 9-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-carboxylic acid ChemAxon average_mass 538.501 ChemAxon mono_mass 538.126382302 ChemAxon smiles COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(C)C=C1O)C2C1C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O ChemAxon formula C31H22O9 ChemAxon inchi InChI=1S/C31H22O9/c1-12-6-16-24(18-10-14(40-2)11-22(35)28(18)30(37)26(16)20(33)7-12)23-15-4-3-5-19(32)25(15)29(36)27-17(23)8-13(31(38)39)9-21(27)34/h3-11,23-24,32-35H,1-2H3,(H,38,39) ChemAxon inchikey NJQDJYRXLQEGRB-UHFFFAOYSA-N ChemAxon polar_surface_area 161.59 ChemAxon refractivity 145.4 ChemAxon polarizability 52.77 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67332 Specdb::MsMs 67333 Specdb::MsMs 67334 Specdb::MsMs 125124 Specdb::MsMs 125125 Specdb::MsMs 125126 Specdb::MsMs 2690459 Specdb::MsMs 2690460 Specdb::MsMs 2690461 Specdb::MsMs 2988224 Specdb::MsMs 2988225 Specdb::MsMs 2988226 Specdb::CMs 17518 Specdb::CMs 45874 Specdb::CMs 259412 Specdb::CMs 259413 Specdb::CMs 259414 Specdb::CMs 259415 Specdb::CMs 259416 Specdb::CMs 259417 Specdb::CMs 259418 Specdb::CMs 259419 Specdb::CMs 259420 Specdb::CMs 259421 Specdb::CMs 259422 Specdb::CMs 259423 Specdb::CMs 259424 Specdb::CMs 259425 Specdb::CMs 259426 Specdb::CMs 259427 Specdb::CMs 259428 Specdb::CMs 259429 Specdb::CMs 259430 Specdb::CMs 259431 Specdb::CMs 259432 Specdb::CMs 259433 Specdb::CMs 259434 HMDB38508 #<Reference:0x000055ce32361450> Green vegetables Unknown generic