Mrv1533004161506542D 14 15 0 0 0 0 999 V2000 -1.2054 -2.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 -0.6979 0.0000 O 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 2 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 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0189984 > NP-MRD > OCC1=C2C(CCOC2=O)C(O)C1O > InChI=1S/C9H12O5/c10-3-5-6-4(7(11)8(5)12)1-2-14-9(6)13/h4,7-8,10-12H,1-3H2 > ZTORISRLTYWNKJ-UHFFFAOYSA-N > C9H12O5 > 200.19 > 200.068473486 > 4 > 26 > 19.05687559696505 > 1 > 3 > 0 > 0 > 5,6-dihydroxy-7-(hydroxymethyl)-1H,3H,4H,4aH,5H,6H-cyclopenta[c]pyran-1-one > -1.43 > -1.7764816873333333 > 0.06 > 0 > 2 > 0 > 14.608347817199334 > 13.286541595412583 > -2.7983622647861175 > 86.99000000000001 > 46.5636 > 1 > 1 > 2.30e+02 g/l > 5,6-dihydroxy-7-(hydroxymethyl)-3H,4H,4aH,5H,6H-cyclopenta[c]pyran-1-one > 0 > NP0189984 > 5,6-dihydroxy-7-(hydroxymethyl)-3h,4h,4ah,5h,6h-cyclopenta[c]pyran-1-one $$$$