LMPR0104330011 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 999 V2000 18.3342 8.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1851 11.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3191 10.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6540 7.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5706 9.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4532 11.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6568 7.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0193 6.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0936 8.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7703 9.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0082 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5180 7.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8147 9.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3883 9.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6829 10.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0935 8.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7987 7.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7832 10.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9174 10.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7832 9.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0512 10.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0512 9.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9171 9.1623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1853 12.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4531 12.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9171 11.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3191 9.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3191 8.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1851 9.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1851 10.1623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3192 13.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3192 12.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4532 14.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4532 15.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3192 15.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1852 15.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1852 14.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9297 12.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0573 12.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8086 12.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6879 12.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5671 12.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4464 12.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3256 12.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2049 12.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0842 12.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9634 12.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8427 12.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29 22 1 0 0 0 0 22 21 1 0 0 0 0 22 19 1 0 0 0 0 29 27 1 0 0 0 0 29 1 1 0 0 0 0 21 2 1 0 0 0 0 27 14 1 0 0 0 0 27 3 1 0 0 0 0 1 4 2 0 0 0 0 2 24 1 1 0 0 0 14 16 1 0 0 0 0 14 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 16 9 1 0 0 0 0 5 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 21 19 1 0 0 0 0 3 2 1 0 0 0 0 16 7 1 0 0 0 0 9 10 1 0 0 0 0 14 15 1 6 0 0 0 16 17 1 1 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 21 26 1 6 0 0 0 22 23 1 6 0 0 0 27 28 1 6 0 0 0 29 30 1 1 0 0 0 32 25 2 0 0 0 0 24 32 1 0 0 0 0 32 31 1 0 0 0 0 31 33 1 0 0 0 33 34 2 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 31 2 0 0 0 39 38 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 38 26 1 0 0 0 0 M END > LMPR0104330011 > Stelleracin A > 12-O-benzoylphorbol 13-(4Z)decenoate > C37H48O8 > 620.33 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Tigliane and ingenane diterpenoids [PR010433] > > YCOLTBGTEROMHU-SCVXIUEASA-N > InChI=1S/C37H48O8/c1-6-7-8-9-10-11-15-18-29(39)45-37-30(34(37,4)5)27-20-25(22-38)21-35(42)28(19-23(2)31(35)40)36(27,43)24(3)32(37)44-33(41)26-16-13-12-14-17-26/h10-14,16-17,19-20,24,27-28,30,32,38,42-43H,6-9,15,18,21-22H2,1-5H3/b11-10-/t24-,27+,28-,30-,32-,35-,36-,37-/m1/s1 > C1=C(CO)C[C@]2(O)C(C(C)=C[C@@]2([H])[C@@]2(O)[C@@H]([C@@H](OC(C3=CC=CC=C3)=O)[C@@]3(OC(CC/C=C\CCCCC)=O)C(C)(C)[C@@]3([H])[C@@]21[H])C)=O > - > - > - > - > - > - > 71712507 > - > - > - > - > - > 142738 > 23611151 $$$$