Mrv1652309122217432D 36 39 0 0 1 0 999 V2000 -1.9987 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1737 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2382 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0638 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6197 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0487 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4776 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1921 1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1921 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9066 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6210 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3355 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6210 1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3355 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9066 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9066 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4776 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0487 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0487 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6197 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5781 -1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 -1.9659 0.0000 C 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 18 17 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 18 25 1 0 0 0 0 25 26 1 1 0 0 0 15 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 13 31 1 0 0 0 0 31 32 1 1 0 0 0 11 33 1 0 0 0 0 33 34 1 0 0 0 0 6 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 M END > NP0330404 > NP-MRD > CC(O)\C=C\[C@@]12O[C@]1(C)C[C@H](CC2(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C24H40O12/c1-11(25)5-6-24-22(2,3)7-12(8-23(24,4)36-24)34-21-19(31)17(29)16(28)14(35-21)10-33-20-18(30)15(27)13(26)9-32-20/h5-6,11-21,25-31H,7-10H2,1-4H3/b6-5+/t11?,12-,13+,14+,15-,16+,17-,18+,19+,20-,21+,23+,24-/m0/s1 > ONPGQBINIQJOTK-RFTICUFTSA-N > C24H40O12 > 520.572 > 520.251976728 > 12 > 76 > 53.34445277086711 > 0 > 7 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(1R,3S,6S)-6-[(1E)-3-hydroxybut-1-en-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy}-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol > -1.8023477096666674 > 1 > 4 > 0 > 12.461509257199161 > 11.927906414327772 > -2.66840560418475 > 191.05999999999997 > 122.04410000000004 > 7 > 0 > (2R,3R,4S,5S,6R)-2-{[(1R,3S,6S)-6-[(1E)-3-hydroxybut-1-en-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy}-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol > 0 > NP0330404 > (2r,3r,4s,5s,6r)-2-{[(1r,3s,6s)-6-[(1e)-3-hydroxybut-1-en-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy}-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol $$$$