ChEBI Marvin 10120911142D 13 13 0 0 0 0 999 V2000 15.2930 -16.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5786 -16.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2930 -15.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8641 -16.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1496 -16.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4351 -16.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0075 -16.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4351 -15.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1496 -15.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8641 -15.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5785 -17.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7206 -16.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7206 -15.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 7 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 10 4 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 8 13 1 0 0 0 0 M END > CHEBI:27637 > 3,4-dihydroxymandelic acid > A catechol that is the 3,4-dihydroxy derivative of mandelic acid; a metabolite of L-dopa. > 3 > CHEBI:1383; CHEBI:19884 > DOMA; Dihydroxymandelic acid; 3,4-Dihydroxyphenylglycolic acid; 3,4-Dihydroxymandelic acid; 3,4-Dihydroxymandelate; (3,4-dihydroxyphenyl)(hydroxy)acetic acid > 2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid > C8H8O5 > 184.14610 > 184.03717 > 0 > OC(C(O)=O)c1ccc(O)c(O)c1 > InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13) > RGHMISIYKIHAJW-UHFFFAOYSA-N > 2104039 > 775-01-9 > 2104039 > 775-01-9 > C05580 > 3,4-Dihydroxymandelic_acid > 12358456; 12649306; 17190852; 1736884; 1750693; 3104378; 5595114; 5778148; 5821523; 8193481 $$$$