LMST04010450 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 999 V2000 5.8720 -3.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7603 -3.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7603 -4.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 -5.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9838 -4.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9838 -3.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6486 -3.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 -3.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 -4.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6485 -5.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6486 -2.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4251 -2.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4251 -3.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4285 -2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9414 -3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 -3.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 -3.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 -2.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2072 -1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2072 -0.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -2.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 -5.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8457 -1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4830 -1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7949 -2.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5459 -3.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 -5.7140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2712 -5.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 -1.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8657 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2428 -0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4686 -1.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4886 -1.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0915 -2.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1046 -2.8655 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.0106 -3.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2372 -1.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1177 -3.0260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6574 -4.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4568 -4.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 3 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 8 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 14 1 0 0 0 6 18 2 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 5 23 2 0 0 0 15 24 1 1 0 0 13 25 1 1 0 0 2 26 1 1 0 0 8 27 1 1 0 0 3 28 1 6 0 0 9 29 1 6 0 0 12 30 1 6 0 0 24 31 1 0 0 0 24 32 1 6 0 0 31 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 2 0 0 0 36 38 2 0 0 0 36 39 1 0 0 0 7 40 1 6 0 0 14 41 1 6 0 0 M END > LMST04010450 > Petromylidene A > 2-(E)-(3-methylbutylidene)-7alpha,12alpha,24-trihydroxy-5alpha-cholan-3-one-24-sulfate > C29H48O7S > 540.31 > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C24 bile acids, alcohols, and derivatives [ST0401] > - > > BBYALPAQYMTBOW-YWOLIFCLSA-N > InChI=1S/C29H48O7S/c1-17(2)8-9-19-16-28(4)20(13-24(19)30)14-25(31)27-22-11-10-21(29(22,5)26(32)15-23(27)28)18(3)7-6-12-36-37(33,34)35/h9,17-18,20-23,25-27,31-32H,6-8,10-16H2,1-5H3,(H,33,34,35)/b19-9+/t18-,20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1 > C1/C(=C\CC(C)C)/C(=O)C[C@]2([H])C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@H]([C@H](C)CCCOS(O)(=O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]12C > - > - > - > ST 29:2;O4;S > - > - > 171120973 > - > - > - > - > - > 7757 > 30200427 $$$$