Mrv0541 01061410032D 35 38 0 0 0 0 999 V2000 14.3564 -6.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5312 -6.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9437 -7.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9514 -10.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 -9.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 -10.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9676 -9.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6798 -9.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6798 -8.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9676 -8.1220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9676 -7.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6823 -6.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 -7.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3955 -8.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1061 -8.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8232 -8.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1018 -7.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6724 -7.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2514 -7.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3891 -8.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2556 -9.3639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2556 -8.5387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5448 -8.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8298 -8.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8298 -9.3639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2514 -10.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1149 -9.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1100 -6.8833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8206 -7.3006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5417 -6.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8313 -5.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1123 -6.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2600 -5.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1030 -9.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8145 -6.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28 17 1 6 0 0 0 7 8 1 0 0 0 0 9 18 2 0 0 0 0 8 9 1 0 0 0 0 22 19 1 1 0 0 0 9 10 1 0 0 0 0 14 20 1 0 0 0 0 21 22 1 0 0 0 0 3 2 1 0 0 0 0 10 11 1 1 0 0 0 5 4 1 0 0 0 0 11 12 1 0 0 0 0 6 5 1 0 0 0 0 21 5 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 5 1 0 0 0 0 12 13 1 0 0 0 0 21 26 1 6 0 0 0 13 14 2 0 0 0 0 25 27 1 1 0 0 0 28 29 1 0 0 0 0 2 1 1 0 0 0 0 22 10 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 28 32 1 0 0 0 0 29 2 1 0 0 0 0 2 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 15 16 1 0 0 0 0 30 33 2 0 0 0 0 16 29 1 0 0 0 0 15 34 2 0 0 0 0 21 7 1 0 0 0 0 29 35 1 1 0 0 0 M END > CHEBI:67476 > lamesticumin C > A triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum. > 3 > (4aS,8aR)-5-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}-1,1,4a,6-tetramethyl-4,4a,8,8a-tetrahydronaphthalene-2,7(1H,3H)-dione > C30H46O3 > 454.68440 > 454.34470 > 0 > CC1=C(CC[C@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC1=O > InChI=1S/C30H46O3/c1-18-9-12-23-27(3,4)25(32)13-15-29(23,7)20(18)10-11-21-19(2)22(31)17-24-28(5,6)26(33)14-16-30(21,24)8/h20,23-25,32H,1,9-17H2,2-8H3/t20-,23-,24-,25-,29+,30+/m0/s1 > DJHULNDUQFBXME-DVMOUVJLSA-N > 21534278 > 21401117 $$$$