require_once( "../navigation.include" ); ?>
check_image( "../cid_images/cid_656564.png" ); ?>
check_image( "../cid_thumbs/cid_656506.png" ); ?>
check_image( "../cid_thumbs/cid_441536.png" ); ?>
check_image( "../cid_thumbs/cid_4480097.png" ); ?>
check_image( "../cid_thumbs/cid_4480093.png" ); ?>
check_image( "../cid_thumbs/cid_229115.png" ); ?>
check_image( "../cid_thumbs/cid_4164085.png" ); ?>
check_image( "../cid_thumbs/cid_4215491.png" ); ?>
check_image( "../cid_thumbs/cid_5715674.png" ); ?>
check_image( "../cid_thumbs/cid_2048875.png" ); ?>
check_image( "../cid_thumbs/cid_4119521.png" ); ?>
check_image( "../cid_thumbs/cid_55280.png" ); ?>
check_image( "../cid_thumbs/cid_2796158.png" ); ?>
check_image( "../cid_thumbs/cid_1121823.png" ); ?>
check_image( "../cid_thumbs/cid_95098.png" ); ?>
check_image( "../cid_thumbs/cid_4220097.png" ); ?>
check_image( "../cid_thumbs/cid_2933831.png" ); ?>
check_image( "../cid_thumbs/cid_240680.png" ); ?>
check_image( "../cid_thumbs/cid_4515502.png" ); ?>
check_image( "../cid_thumbs/cid_4458591.png" ); ?>
check_image( "../cid_thumbs/cid_5141532.png" ); ?>
check_image( "../cid_thumbs/cid_220100.png" ); ?>
check_image( "../cid_thumbs/cid_4693467.png" ); ?>
pre_formula_key( "InChIKey=PKKMITFKYRCCOL-QXKIALBYDM", "jqp061/656564.html" ); ?>
pre_formula( "InChI=1/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/p-1/t12-,14-,15+,16-,17+/m1/s1/fC17H21N2O10S2/q-1", "jqp061/656564.html" ); ?>
Molecular Formula:
C17H21N2O10S2-
InChI: InChI=1/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/p-1/t12-,14-,15+,16-,17+/m1/s1/fC17H21N2O10S2/q-1
InChIKey: InChIKey=PKKMITFKYRCCOL-QXKIALBYDM
SMILES: COn1cc(CC(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NOS([O-])(=O)=O)c3ccccc13
CAS number 5187-84-8
Names:
C08424
MIMG
Neoglucobrassicin
neoglucobrassicin
1-methoxyindol-3-ylmethylglucosinolate
1-Methoxy-3-indolylmethylglucosinolate
1-Methoxy-3-indolylmethyl glucosinolate
1-methoxy-3-[[N-sulfonatooxy-C-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-carbonimidoyl]methyl]indole
5187-84-8
name_it( "InChI=1/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/p-1/t12-,14-,15+,16-,17+/m1/s1/fC17H21N2O10S2/q-1", "jqp061/656564.html" ); ?>
Registries:
pre_registry_key( "InChI=1/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/p-1/t12-,14-,15+,16-,17+/m1/s1/fC17H21N2O10S2/q-1", "InChIKey=PKKMITFKYRCCOL-QXKIALBYDM", "jqp061/656564.html" ); ?>
PubChem CID 656564
Beilstein =5199145
CAS 5187-84-8 (from NIST)
ChEBI 27506
Kegg C08424
PubChem ID 10619
pre_ads_key( "InChIKey=PKKMITFKYRCCOL-QXKIALBYDM", "jqp061/656564.html" ); ?>
pre_ads( "InChI=1/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/p-1/t12-,14-,15+,16-,17+/m1/s1/fC17H21N2O10S2/q-1", "jqp061/656564.html" ); ?>
require_once( "../ads.include" ); ?>
pre_related( "InChI=1/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/p-1/t12-,14-,15+,16-,17+/m1/s1/fC17H21N2O10S2/q-1", "jqp061/656564.html" ); ?>