Mrv1533004171502322D 20 22 0 0 0 0 999 V2000 6.2178 -0.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4209 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0407 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -1.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4105 -1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4105 -2.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -3.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0021 -3.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6864 -3.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 -2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 -1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6219 -1.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4084 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6115 -0.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 0.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0021 -1.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2074 -1.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 5 19 1 0 0 0 0 12 19 1 0 0 0 0 6 20 2 0 0 0 0 2 20 1 0 0 0 0 M END > NP0137317 > NP-MRD > OC1=CC=C2C(OCC(=O)CC3=CC(O)=C(O)C=C23)=C1 > InChI=1S/C15H12O5/c16-9-1-2-11-12-6-14(19)13(18)4-8(12)3-10(17)7-20-15(11)5-9/h1-2,4-6,16,18-19H,3,7H2 > MUKYVRVYBBYJSI-UHFFFAOYSA-N > C15H12O5 > 272.256 > 272.068473486 > 5 > 32 > 26.825760068477678 > 1 > 3 > 0 > 1 > 5,14,15-trihydroxy-8-oxatricyclo[10.4.0.0²,⁷]hexadeca-1(16),2,4,6,12,14-hexaen-10-one > 2.26 > 2.2208067819999995 > -3.20 > 0 > 3 > 0 > 9.692007017082862 > 8.924880978056045 > -4.910015501832821 > 86.99000000000001 > 71.89970000000001 > 0 > 1 > 1.70e-01 g/l > protosappanin A > 0 > NP0137317 > Protosappanin A $$$$