1.0 2010-04-08 22:10:17 UTC 2015-07-20 22:52:53 UTC FDB012664 Fusaroskyrin Responsible for purple speck disease in soybean 4,4',5,5',8,8'-Hexahydroxy-2,2'-dimethoxy-7,7'-dimethyl-1,1'-bianthraquinone C32H22O12 598.5099 598.111126168 1,4,5-trihydroxy-7-methoxy-2-methyl-8-(4,5,8-trihydroxy-2-methoxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-9,10-dihydroanthracene-9,10-dione 1,4,5-trihydroxy-7-methoxy-2-methyl-8-(4,5,8-trihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione COC1=C(C2=C(C(O)=C1)C(=O)C1=C(O)C=C(C)C(O)=C1C2=O)C1=C(OC)C=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O InChI=1S/C32H22O12/c1-9-5-11(33)19-25(27(9)37)31(41)23-17(29(19)39)13(35)7-15(43-3)21(23)22-16(44-4)8-14(36)18-24(22)32(42)26-20(30(18)40)12(34)6-10(2)28(26)38/h5-8,33-38H,1-4H3 KWJYPXPZYJXQFD-UHFFFAOYSA-N belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. Anthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl ketones Biphenols Hydrocarbon derivatives Organic oxides Polyols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 9,10-anthraquinone Alkyl aryl ether Anisole Anthraquinone Aromatic homopolycyclic compound Aryl ketone Biphenol Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Polyol Vinylogous acid logp 3.72 ALOGPS logs -4.00 ALOGPS solubility 6.03e-02 g/l ALOGPS melting_point Mp 300° logp 8.3 ChemAxon pka_strongest_acidic 8.44 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 1,4,5-trihydroxy-7-methoxy-2-methyl-8-(4,5,8-trihydroxy-2-methoxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 598.5099 ChemAxon mono_mass 598.111126168 ChemAxon smiles COC1=C(C2=C(C(O)=C1)C(=O)C1=C(O)C=C(C)C(O)=C1C2=O)C1=C(OC)C=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O ChemAxon formula C32H22O12 ChemAxon inchi InChI=1S/C32H22O12/c1-9-5-11(33)19-25(27(9)37)31(41)23-17(29(19)39)13(35)7-15(43-3)21(23)22-16(44-4)8-14(36)18-24(22)32(42)26-20(30(18)40)12(34)6-10(2)28(26)38/h5-8,33-38H,1-4H3 ChemAxon inchikey KWJYPXPZYJXQFD-UHFFFAOYSA-N ChemAxon polar_surface_area 208.12 ChemAxon refractivity 156.27 ChemAxon polarizability 58.48 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72765 Specdb::MsMs 72766 Specdb::MsMs 72767 Specdb::MsMs 131757 Specdb::MsMs 131758 Specdb::MsMs 131759 Specdb::MsMs 2357232 Specdb::MsMs 2357233 Specdb::MsMs 2357234 Specdb::MsMs 2608425 Specdb::MsMs 2608426 Specdb::MsMs 2608427 Specdb::CMs 14769 Specdb::CMs 43809 Specdb::CMs 456966 Specdb::CMs 456967 Specdb::CMs 456968 Specdb::CMs 456969 Specdb::CMs 456970 Specdb::CMs 456971 Specdb::CMs 456972 Specdb::CMs 456973 Specdb::CMs 456974 Specdb::CMs 456975 Specdb::CMs 456976 Specdb::CMs 456977 Specdb::CMs 456978 Specdb::CMs 456979 Specdb::CMs 456980 Specdb::CMs 456981 Specdb::CMs 456982 Specdb::CMs 456983 Specdb::CMs 456984 Specdb::CMs 456985 Specdb::CMs 456986 Specdb::CMs 456987 Specdb::CMs 456988 HMDB34314 #<Reference:0x000055ce31866b40>