CDK 9/10/12,15:49 32 36 0 0 0 0 0 0 0 0999 V2000 3.0262 -6.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0262 -7.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7385 -7.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7385 -5.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4508 -6.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4473 -7.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1563 -7.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8735 -7.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1633 -6.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8731 -6.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5881 -6.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5996 -5.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 -4.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1686 -5.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3112 -5.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -6.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1095 -5.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4435 -5.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 -8.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -8.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0179 -8.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8732 -5.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1562 -6.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3112 -4.7769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2946 -7.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1517 -8.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 -7.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4581 -4.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0251 -8.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -9.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3116 -10.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7412 -10.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 15 1 0 0 0 0 5 9 1 0 0 0 0 10 16 1 1 0 0 0 15 16 1 0 0 0 0 6 7 1 0 0 0 0 15 17 2 0 0 0 0 7 8 1 0 0 0 0 5 18 1 6 0 0 0 8 10 1 0 0 0 0 6 19 1 1 0 0 0 9 10 1 0 0 0 0 3 20 1 6 0 0 0 3 6 1 0 0 0 0 3 21 1 0 0 0 0 5 4 1 0 0 0 0 9 22 1 1 0 0 0 5 6 1 0 0 0 0 8 23 1 6 0 0 0 18 23 1 0 0 0 0 12 24 1 1 0 0 0 1 2 1 0 0 0 0 16 25 2 0 0 0 0 1 4 1 0 0 0 0 7 26 1 1 0 0 0 9 14 1 0 0 0 0 8 27 1 0 0 0 0 10 11 1 0 0 0 0 14 28 1 6 0 0 0 12 11 1 0 0 0 0 20 29 1 0 0 0 0 12 13 1 0 0 0 0 29 30 1 0 0 0 0 13 14 1 0 0 0 0 30 31 2 0 0 0 0 2 3 1 0 0 0 0 30 32 1 0 0 0 0 M END > CHEBI:67685 > Longikaurin D > A natural product found in Isodon adenolomus. > 2 > C22H30O7 > 406.46940 > 406.19915 > 0 > [H][C@]12C[C@@H](O)[C@@]3([H])[C@]45CCC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)C2=C > InChI=1S/C22H30O7/c1-11-13-7-14(24)15-20-6-4-5-19(3,9-28-12(2)23)16(20)18(26)22(27,29-10-20)21(15,8-13)17(11)25/h13-16,18,24,26-27H,1,4-10H2,2-3H3/t13-,14+,15-,16+,18-,19-,20+,21-,22+/m0/s1 > XQPBZGQNCZAVQT-QRQZOQOPSA-N > 21534539 $$$$