CDK 1018121544 33 36 0 0 0 0 0 0 0 0999 V2000 -2.5510 -1.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9602 -1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3739 -1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2431 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 -0.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5322 -1.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5331 0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8227 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1165 0.4428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1145 1.2624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8250 1.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5373 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 1.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3173 1.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 2.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 -1.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 -2.0299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8154 -2.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 -3.2651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1001 -3.6804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6166 -3.2665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6182 -2.4372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5329 -2.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -2.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3321 -3.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1011 -4.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5317 -3.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2472 -3.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 7 8 2 0 0 0 0 14 17 1 0 0 0 0 2 1 1 0 0 0 0 17 18 2 0 0 0 0 8 9 1 0 0 0 0 14 19 1 1 0 0 0 3 2 1 0 0 0 0 13 20 1 6 0 0 0 9 10 2 0 0 0 0 10 21 1 0 0 0 0 10 12 1 0 0 0 0 22 21 1 6 0 0 0 22 23 1 0 0 0 0 11 7 1 0 0 0 0 11 12 2 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 2 8 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 7 6 1 0 0 0 0 9 28 1 0 0 0 0 4 5 1 0 0 0 0 27 29 1 6 0 0 0 26 30 1 1 0 0 0 11 16 1 0 0 0 0 25 31 1 6 0 0 0 12 13 1 0 0 0 0 24 32 1 1 0 0 0 13 14 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:70048 > Xylopimarane > A natural product found in Xylaria species. > 2 > (7R,8S)-8,10-Dihydroxy-1,1,7-trimethyl-7-vinyl-1,2,3,4,5,6,7,8-octahydro-9-phenanthrenyl alpha-D-glucopyranoside > C25H36O8 > 464.54850 > 464.24102 > 0 > CC1(C)CCCc2c3CC[C@](C)(C=C)[C@H](O)c3c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12 > InChI=1S/C25H36O8/c1-5-25(4)10-8-12-13-7-6-9-24(2,3)16(13)18(28)21(15(12)22(25)31)33-23-20(30)19(29)17(27)14(11-26)32-23/h5,14,17,19-20,22-23,26-31H,1,6-11H2,2-4H3/t14-,17-,19+,20-,22-,23-,25+/m1/s1 > GQECNZJTMLRIAM-DWRPHZCTSA-N > 21226484 $$$$