Mol:FL7AACGL0132
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 45 50 0 0 0 0 0 0 0 0999 V2000 0.0014 -0.2550 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7131 0.1575 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -0.2551 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7131 0.9825 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1421 0.1576 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -1.0801 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 1.3951 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 1.3950 -7.9733 O 0 3 0 0 0 5 0 0 0 0 0 0 -2.1421 0.9826 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -0.2550 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -1.4926 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 2.2200 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 0.9826 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 1.3951 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -1.0800 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5711 0.1575 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -2.3176 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 2.6325 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 1.3950 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5711 0.9826 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 2.2201 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 3.4575 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2855 1.3951 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1448 2.6326 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 -1.0563 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7128 -0.5266 -4.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 0.0559 -2.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 -0.6133 -2.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.4010 -2.7812 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9519 -0.6133 -2.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 0.0559 -2.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5954 -0.1564 -2.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0869 0.0372 -3.2109 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 0.3736 -2.7812 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 -0.1568 -2.7812 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 -2.4850 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2855 -1.8158 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5426 -2.0281 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -1.8158 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -2.4850 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1515 -2.2727 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8894 -3.4575 7.5436 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6766 -3.0633 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 -2.2723 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1302 -1.9036 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 3 5 1 0 3 6 1 0 4 7 1 0 4 8 2 0 5 9 2 0 5 10 1 0 6 11 2 0 7 12 1 0 7 13 2 0 8 9 1 0 9 14 1 0 10 15 1 0 10 16 2 0 11 15 1 0 11 17 1 0 12 18 2 0 13 19 1 0 14 20 2 0 16 20 1 0 18 21 1 0 18 22 1 0 19 21 2 0 20 23 1 0 21 24 1 0 27 28 1 0 28 29 1 1 29 30 1 1 31 30 1 1 31 32 1 0 32 27 1 0 27 33 1 0 32 34 1 0 30 26 1 0 31 35 1 0 25 26 1 0 37 36 1 1 37 38 1 0 38 39 1 0 40 39 1 0 40 41 1 1 41 36 1 1 36 42 1 0 41 43 1 0 40 44 1 0 39 45 1 0 25 37 1 0 1 28 1 0 M CHG 1 8 1 S SKP 9 AUTODRAW FALSE ID FL7AACGL0132 KNApSAcK_ID NAME Pyranocyanin A CAS_RN 294845-01-5 FORMULA C30H33O15 EXACTMASS 633.181945386 AVERAGEMASS 633.57402 SMILES OC(C1C)C(O)C(O)C(OCC(O2)C(C(C(O)C2Oc(c54)c([o+1]c(c6)c4c(cc6O)OC(=C5)C)c(c3)ccc(c3O)O)O)O)O1 M END