Mrv1652309092202592D 26 28 0 0 0 0 999 V2000 5.8293 -0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0842 -1.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 -2.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7871 -3.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2351 -3.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 -4.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -5.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -4.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 -2.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0223 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 -1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4084 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 -0.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3896 1.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 4 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 3 9 2 0 0 0 0 9 10 1 4 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 4 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 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 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 23 25 1 0 0 0 0 25 26 2 0 0 0 0 17 26 1 0 0 0 0 20 26 1 0 0 0 0 M END > NP0276722 > NP-MRD > COC(C=CC(O)=O)=CC(C)=CC1CCCC2=C1OC1=CC=C(O)C=C21 > InChI=1S/C21H22O5/c1-13(11-16(25-2)7-9-20(23)24)10-14-4-3-5-17-18-12-15(22)6-8-19(18)26-21(14)17/h6-12,14,22H,3-5H2,1-2H3,(H,23,24) > WIGMDADUQLISQR-UHFFFAOYSA-N > C21H22O5 > 354.402 > 354.146723808 > 4 > 48 > 38.66776532293851 > 1 > 2 > 0 > 1 > 7-{12-hydroxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),9,11-tetraen-6-yl}-4-methoxy-6-methylhepta-2,4,6-trienoic acid > 3.716616754333333 > 0 > 3 > -1 > 9.445223464265382 > 4.1938352025210195 > -2.8428351255625883 > 79.9 > 102.3887 > 5 > 1 > 7-{12-hydroxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),9,11-tetraen-6-yl}-4-methoxy-6-methylhepta-2,4,6-trienoic acid > 0 > NP0276722 > 7-{12-hydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-6-yl}-4-methoxy-6-methylhepta-2,4,6-trienoic acid $$$$