Mrv2104 03062321372D 26 30 0 0 1 0 999 V2000 3.1892 0.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 -0.2705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3860 -0.9912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2109 -0.9786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5611 -1.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -0.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0141 0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 1.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1403 0.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -0.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2623 -0.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8607 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 -0.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 -1.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8093 -1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 0.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 0.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 1.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 2 6 1 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 8 12 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 6 14 2 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 3 16 1 0 0 0 0 2 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 5 19 1 0 0 0 0 19 20 2 0 0 0 0 18 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 17 26 2 0 0 0 0 M END > NP0333460 > NP-MRD > [H][C@@]12COC3=C(C=C4OCOC4=C3)[C@]1(O)C(=O)C1=CC=C(OC)C=C1O2 > InChI=1S/C18H14O7/c1-21-9-2-3-10-12(4-9)25-16-7-22-13-6-15-14(23-8-24-15)5-11(13)18(16,20)17(10)19/h2-6,16,20H,7-8H2,1H3/t16-,18-/m1/s1 > WTXXVDHOJMRTOW-SJLPKXTDSA-N > C18H14O7 > 342.303 > 342.073952791 > 7 > 39 > 33.733050645788055 > 1 > 1 > 0 > 1 > (1R,13R)-1-hydroxy-17-methoxy-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 > 1.5929694789999993 > 0 > 5 > 0 > 11.060004200521805 > -4.246850978102072 > 83.45000000000002 > 83.37430000000002 > 1 > 1 > (1R,13R)-1-hydroxy-17-methoxy-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 > NP0333460 > Oblarotenoid A $$$$