Mrv1652306242119543D 35 36 0 0 0 0 999 V2000 -4.4818 0.3174 1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1633 -0.5758 0.0597 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9590 -0.1100 -0.7112 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7095 -0.0729 0.1621 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5755 0.4016 -0.6984 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7475 0.5444 -0.0373 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7163 1.0115 -1.0026 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9988 1.2748 -0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4764 0.5279 0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8476 0.9806 0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6154 0.5022 1.5161 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1255 2.0224 -0.2902 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0727 2.1814 -0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6643 -0.4929 1.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1757 -1.1445 1.9741 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 -0.7326 0.5337 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3962 -1.7511 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 -1.2278 1.5736 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6943 0.3554 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7015 1.3531 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4418 -0.0409 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0501 -1.6124 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0286 -0.5263 -0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7707 -0.8564 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 0.8719 -1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8495 0.5959 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -1.0987 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 1.4110 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4436 -0.2604 -1.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7607 1.3138 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0156 2.9368 -1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -1.1748 -1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2476 -2.4343 -0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 -2.2833 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6128 -2.2072 1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 1 0 0 0 16 6 1 0 0 0 0 13 8 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 1 0 0 0 13 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 M END > NP0014348 > NP-MRD > [H]O[C@@]1(C(=O)C2=C(O[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])=NC2=O)C([H])([H])[H] > InChI=1S/C13H17NO4/c1-3-4-5-6-9-13(2,17)11(15)10-8(18-9)7-14-12(10)16/h7,9,17H,3-6H2,1-2H3/t9-,13-/m0/s1 > SYFQAADJVCMWAR-ZANVPECISA-N > C13H17NO4 > 251.282 > 251.115758031 > 5 > 35 > 25.90241914059491 > 1 > 1 > 0 > 1 > (2S,3S)-3-hydroxy-3-methyl-2-pentyl-2H,3H,4H,5H-pyrano[2,3-c]pyrrole-4,5-dione > 1.76 > 1.0127725450000002 > -2.65 > 0 > 2 > 0 > 12.230119104848574 > -2.1588806881677547 > 75.96 > 65.7425 > 4 > 1 > 5.67e-01 g/l > (2S,3S)-3-hydroxy-3-methyl-2-pentyl-2H-pyrano[2,3-c]pyrrole-4,5-dione > 0 > NP0014348 > Paraphaeosphaeride B $$$$