Marvin 10161209412D 19 21 0 0 1 0 999 V2000 10.0585 -4.3136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3912 -4.7986 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7261 -4.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6462 -5.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8037 -3.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7237 -4.3137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9787 -3.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1362 -5.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3112 -5.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0562 -4.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4937 -2.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8294 -2.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6732 -2.9479 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7261 -3.8287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4319 -6.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0563 -3.8287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4712 -5.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4712 -6.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1856 -5.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 2 4 1 6 0 0 0 3 17 1 0 0 0 0 17 4 1 0 0 0 0 5 1 1 0 0 0 0 1 2 1 0 0 0 0 5 7 2 0 0 0 0 6 7 1 0 0 0 0 2 8 1 0 0 0 0 2 6 1 0 0 0 0 6 10 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 1 14 1 1 0 0 0 8 15 1 6 0 0 0 6 16 1 6 0 0 0 17 18 1 0 0 0 0 19 17 1 0 0 0 0 M CHG 1 13 -1 M END > CHEBI:68650 > 1-deoxypentalenate > A monocarboxylic acid anion that is the conjugate base of 1-deoxypentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. > 3 > 1-deoxypentalenate > (1R,3aR,5aS,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate > C15H21O2 > 233.32600 > 233.15470 > -1 > [H][C@@]12CC(C)(C)C[C@@]11[C@H](C)CC[C@@]1([H])C(=C2)C([O-])=O > InChI=1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/p-1/t9-,10-,12+,15-/m1/s1 > DCFDRCCHOOORSB-DSKWVYQCSA-M > CPD-13618 > 21081950 $$$$