LMPR0104330013 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 18.3387 8.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1895 11.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3234 10.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6584 7.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5745 9.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4572 11.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6609 7.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0237 6.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0973 8.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 9.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0128 6.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5215 7.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8181 9.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3924 9.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6870 10.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0974 8.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8026 7.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7883 10.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9223 10.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7883 9.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0559 10.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0559 9.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9220 9.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1897 12.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4571 12.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9220 11.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3234 9.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3234 8.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1895 9.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1895 10.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3235 13.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3235 12.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4572 14.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4572 15.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3235 15.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1896 15.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1896 14.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9537 12.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0697 12.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8441 12.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7350 12.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5993 12.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4671 12.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3314 12.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1991 12.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0634 12.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1609 6.6510 0.0000 O 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 38 26 1 0 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 7 47 1 1 0 0 M END > LMPR0104330013 > Stelleracin C > 12-O-benzoyl-5beta-hydroxyphorbol 13-octanoate > C35H46O9 > 610.31 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Tigliane and ingenane diterpenoids [PR010433] > > QXFOVBNLMKQJFC-NNGASTTLSA-N > InChI=1S/C35H46O9/c1-6-7-8-9-13-16-26(37)44-35-27(32(35,4)5)24-18-23(19-36)29(39)34(42)25(17-20(2)28(34)38)33(24,41)21(3)30(35)43-31(40)22-14-11-10-12-15-22/h10-12,14-15,17-18,21,24-25,27,29-30,36,39,41-42H,6-9,13,16,19H2,1-5H3/t21-,24+,25+,27-,29-,30-,33-,34-,35-/m1/s1 > C1=C(CO)[C@@H](O)[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(CCCCCCC)=O)C(C)(C)[C@@]3([H])[C@@]21[H])C)=O > - > - > - > - > - > - > 71712659 > - > - > - > - > - > 142738 > 23611151 $$$$