Mrv1652309082217322D 32 35 0 0 1 0 999 V2000 7.7938 1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0281 1.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6136 1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4968 0.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7311 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9647 2.0716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4249 1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6335 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3962 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 2.0696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5716 1.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 2.2586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4701 1.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 2.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 2.9992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2018 3.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 4.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9311 4.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 4.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9809 4.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0439 4.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7382 3.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 2.8883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3876 3.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8472 3.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4961 2.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2617 2.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1597 2.8824 0.0000 C 0 0 1 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 5 7 1 0 0 0 0 8 4 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 1 0 0 0 15 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 2 0 0 0 0 19 21 1 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 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 3 30 1 0 0 0 0 30 31 2 0 0 0 0 32 22 1 1 0 0 0 13 32 1 0 0 0 0 18 32 1 0 0 0 0 M END > NP0269908 > NP-MRD > COC1=C(C(C)C)[C@H]2C\C=C(C)/[C@H]3O[C@@](C)(O)[C@@H]4[C@H]3\C(OC4=O)=C(C)/CC[C@]2(C)OC1=O > InChI=1S/C25H34O7/c1-12(2)16-15-9-8-13(3)20-17-18(25(6,28)31-20)22(26)30-19(17)14(4)10-11-24(15,5)32-23(27)21(16)29-7/h8,12,15,17-18,20,28H,9-11H2,1-7H3/b13-8-,19-14+/t15-,17+,18-,20-,24+,25-/m1/s1 > BDGOANHBKYFDGC-MEVSLOLKSA-N > C25H34O7 > 446.54 > 446.230453435 > 5 > 66 > 47.6418600423377 > 1 > 1 > 0 > 1 > (5S,10R,12Z,14S,16R,17S,20R)-16-hydroxy-8-methoxy-2,5,13,16-tetramethyl-9-(propan-2-yl)-6,15,19-trioxatetracyclo[12.5.1.0^{5,10}.0^{17,20}]icosa-1,8,12-triene-7,18-dione > 2.860828281999999 > 0 > 4 > 0 > 11.770807975053083 > -4.211248588392558 > 91.28999999999999 > 120.40579999999999 > 2 > 1 > (5S,10R,12Z,14S,16R,17S,20R)-16-hydroxy-9-isopropyl-8-methoxy-2,5,13,16-tetramethyl-6,15,19-trioxatetracyclo[12.5.1.0^{5,10}.0^{17,20}]icosa-1,8,12-triene-7,18-dione > 0 > NP0269908 > (1e,5s,10r,12z,14s,16r,17s,20r)-16-hydroxy-9-isopropyl-8-methoxy-2,5,13,16-tetramethyl-6,15,19-trioxatetracyclo[12.5.1.0⁵,¹⁰.0¹⁷,²⁰]icosa-1,8,12-triene-7,18-dione $$$$