Mrv2104 03062321242D 28 32 0 0 1 0 999 V2000 2.8455 0.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 1.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 1.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4953 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3202 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 0.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5684 0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7218 1.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5467 1.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2984 2.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 2.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 2.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 2.9266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4004 2.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8237 2.2060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4221 1.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 2.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 1.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 1.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7506 2.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5755 2.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 3.6222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 3.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 5 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 3 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 2 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 18 26 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 14 28 1 0 0 0 0 M END > NP0333456 > NP-MRD > [H][C@@]12COC3=C(C=C4OCOC4=C3)[C@]1(O)C(=O)C1=CC(OC)=C(OC)C=C1O2 > InChI=1S/C19H16O8/c1-22-13-3-9-11(5-14(13)23-2)27-17-7-24-12-6-16-15(25-8-26-16)4-10(12)19(17,21)18(9)20/h3-6,17,21H,7-8H2,1-2H3/t17-,19-/m1/s1 > LWNICCHQDDGXEK-IEBWSBKVSA-N > C19H16O8 > 372.329 > 372.084517475 > 8 > 43 > 36.40870624244485 > 1 > 1 > 0 > 1 > (1R,13R)-1-hydroxy-17,18-dimethoxy-5,7,11,14-tetraoxapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-2(10),3,8,15,17,19-hexaen-21-one > 1.435298213333333 > 0 > 5 > 0 > 11.046986954158456 > -4.16811833593695 > 92.68000000000002 > 89.83749999999999 > 2 > 1 > (1R,13R)-1-hydroxy-17,18-dimethoxy-5,7,11,14-tetraoxapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-2(10),3,8,15,17,19-hexaen-21-one > 0 > NP0333456 > Oblarotenoid F $$$$