Mrv1652309022203212D 37 42 0 0 1 0 999 V2000 2.3211 -3.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9191 -3.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7258 -2.2719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9316 -2.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 -1.2495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0624 -1.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8901 -0.7309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1776 -1.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5389 -0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2513 -1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5428 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5539 0.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 0.1512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0582 0.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5697 -0.2097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1121 -0.8962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3636 -1.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1347 -1.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -1.5553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5312 -2.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9591 -0.7382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7615 -0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4411 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4621 -1.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1868 -2.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -2.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0959 -0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8211 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9964 0.2446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3126 1.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6266 0.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -0.1394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8705 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 -0.6732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5512 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 16 15 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 3 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 16 34 1 0 0 0 0 22 34 1 0 0 0 0 34 35 1 1 0 0 0 17 36 1 0 0 0 0 14 36 1 0 0 0 0 5 36 1 0 0 0 0 36 37 1 6 0 0 0 M END > NP0146039 > NP-MRD > CO[C@@H]1O[C@@]2(O)[C@@H](CO[C@H]3O[C@H]4[C@@H](C1=C[C@@H](O)[C@@H]1C5=C(CC[C@]5(C)CC[C@@]41C)C(C)C)[C@@]23O)OC(C)=O > InChI=1S/C28H40O9/c1-13(2)15-7-8-25(4)9-10-26(5)21(19(15)25)17(30)11-16-20-22(26)36-24-27(20,31)28(32,37-23(16)33-6)18(12-34-24)35-14(3)29/h11,13,17-18,20-24,30-32H,7-10,12H2,1-6H3/t17-,18-,20-,21-,22+,23-,24+,25-,26-,27+,28+/m1/s1 > YUNYLSVPLWHYCC-ZBRLZPPXSA-N > C28H40O9 > 520.619 > 520.267232868 > 8 > 77 > 55.34876462040292 > 1 > 3 > 0 > 0 > (1S,2R,5R,10R,11R,14R,16S,17R,20S,21S,22R)-11,16,21-trihydroxy-14-methoxy-2,5-dimethyl-8-(propan-2-yl)-15,19,23-trioxahexacyclo[18.2.1.0^{2,10}.0^{5,9}.0^{13,22}.0^{16,21}]tricosa-8,12-dien-17-yl acetate > 2.08 > 2.0165185943333315 > -3.20 > 0 > 6 > 0 > 11.735051768085887 > 9.7530243925223 > -3.036857425781739 > 123.91000000000003 > 131.22950000000003 > 4 > 0 > 3.32e-01 g/l > (1S,2R,5R,10R,11R,14R,16S,17R,20S,21S,22R)-11,16,21-trihydroxy-8-isopropyl-14-methoxy-2,5-dimethyl-15,19,23-trioxahexacyclo[18.2.1.0^{2,10}.0^{5,9}.0^{13,22}.0^{16,21}]tricosa-8,12-dien-17-yl acetate > 0 > NP0146039 > (1s,2r,5r,10r,11r,14r,16s,17r,20s,21s,22r)-11,16,21-trihydroxy-8-isopropyl-14-methoxy-2,5-dimethyl-15,19,23-trioxahexacyclo[18.2.1.0²,¹⁰.0⁵,⁹.0¹³,²².0¹⁶,²¹]tricosa-8,12-dien-17-yl acetate $$$$