LMPK12010169 LIPID_MAPS_STRUCTURE_DATABASE 63 69 0 0 0 999 V2000 4.1805 0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1805 -0.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0662 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9521 -0.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9521 0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0662 1.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8378 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7237 -0.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7237 0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8378 1.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6093 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5119 0.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4148 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4148 2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5119 2.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6093 2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 1.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3174 2.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 -1.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6757 -0.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 -3.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1595 -4.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6144 -3.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4281 -1.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0141 -1.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2058 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1163 -3.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 -3.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4765 -2.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7936 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4973 -2.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0553 -3.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7738 -2.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3040 -0.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6081 -1.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4395 -1.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3567 -2.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1382 -2.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9974 -2.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0803 -1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9397 -1.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7508 -1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8579 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5800 -1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5466 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5874 -0.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5687 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3689 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1875 0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2063 1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4061 0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9859 1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7964 -4.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3396 -5.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5574 -5.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8441 -2.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7403 -3.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9054 -4.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1743 -4.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2834 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1183 -3.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5118 3.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 1 0 0 26 19 1 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 36 42 1 0 0 0 41 35 1 0 0 0 35 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 6 0 0 38 32 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 50 53 1 0 0 0 0 36 43 1 0 0 0 0 62 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 59 54 1 6 0 0 60 55 1 1 0 0 61 56 1 6 0 0 58 32 1 1 0 0 37 20 1 6 0 0 15 63 1 0 0 0 M CHG 1 10 1 M END > LMPK12010169 > > Cyanidin 3-(6''-(E)-p-coumarylsambubioside)-5-glucoside > C41H45O22 > 889.24 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > JSYDBTWJIIAZPU-NEVABJEQSA-O > InChI=1S/C41H44O22/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48)/p+1/t23-,27-,28-,30+,31-,32-,33+,34+,35-,36-,38-,39+,40-,41-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=CC(O)=CC=4)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 6602295 > - > - > - > - > - > 33090 > - $$$$