LMPR0104330012 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 999 V2000 18.3227 8.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1737 11.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3083 10.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6430 7.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5609 9.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4429 11.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6464 7.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0080 6.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0842 8.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7611 9.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9963 6.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5089 7.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8061 9.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3781 9.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6725 10.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0834 8.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7888 7.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7702 10.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9050 10.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7702 9.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0393 10.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0393 9.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9047 9.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1739 12.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4428 12.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9047 11.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3083 9.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3083 8.6569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1737 9.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1737 10.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3084 13.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3084 12.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4429 14.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4429 15.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3084 15.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1738 15.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1738 14.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9363 12.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0531 12.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8260 12.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7161 12.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6062 12.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4963 12.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3864 12.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2765 12.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1667 12.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0568 12.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9469 12.6649 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 2 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 > LMPR0104330012 > Stelleracin B > 12-O-benzoylphorbol 13-(4Z,7Z)decadienoate > C37H46O8 > 618.32 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Tigliane and ingenane diterpenoids [PR010433] > > HCPYBGDUUHWAPM-SKMAVYCASA-N > InChI=1S/C37H46O8/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/h7-8,10-14,16-17,19-20,24,27-28,30,32,38,42-43H,6,9,15,18,21-22H2,1-5H3/b8-7-,11-10-/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\C/C=C\CC)=O)C(C)(C)[C@@]3([H])[C@@]21[H])C)=O > - > - > - > - > - > - > 71712508 > - > - > - > - > - > 142738 > 23611151 $$$$