Mrv1652309032208472D 37 39 0 0 1 0 999 V2000 -3.5098 -1.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2243 -2.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2243 -2.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 -3.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 -4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7953 -4.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7953 -5.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 -5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 -6.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2243 -5.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9388 -5.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2243 -4.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9388 -1.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9388 -0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6532 -0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6532 0.4703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4657 0.3271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7479 -0.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2176 -1.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5603 -0.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8425 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6550 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9371 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7496 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2799 -1.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0924 -1.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9977 -1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5280 -0.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1853 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9354 1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4051 1.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7479 1.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9388 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2243 0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2243 -0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 -0.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 4 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 5 12 1 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 18 1 4 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 22 29 1 0 0 0 0 16 30 1 1 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 16 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 14 36 1 0 0 0 0 36 37 1 0 0 0 0 M END > NP0170588 > NP-MRD > OC1C[C@](CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O)(OC(=O)C=CC1=CC=C(O)C(O)=C1)C(O)=O > InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/t19?,20?,23?,25-/m1/s1 > YDDUMTOHNYZQPO-HNVAYXLOSA-N > C25H24O12 > 516.455 > 516.126776213 > 10 > 61 > 48.8007854929474 > 0 > 7 > 0 > 0 > (1R)-1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid > 2.07 > 2.158230316666666 > -3.58 > 1 > 3 > -1 > 8.907564069574317 > 3.184533116763618 > -3.2325629248174694 > 211.27999999999997 > 126.76419999999997 > 9 > 0 > 1.37e-01 g/l > (1R)-1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid > 0 > NP0170588 > (1r)-1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid $$$$