LMPK12010082 LIPID_MAPS_STRUCTURE_DATABASE 61 67 0 0 0 999 V2000 14.8663 13.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8663 12.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7578 12.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6492 12.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6492 13.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7578 14.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5407 12.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4320 12.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4320 13.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5407 14.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4008 14.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2924 13.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1838 14.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1838 15.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2924 16.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4008 15.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9826 15.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1426 14.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7578 11.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2433 12.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8998 13.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3102 14.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4795 13.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4539 12.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 12.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6095 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6348 11.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0699 12.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1749 10.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1987 10.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2132 9.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2471 9.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7353 11.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9302 9.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7230 11.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2156 10.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7205 9.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7376 9.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2451 10.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2620 10.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7445 7.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9526 7.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3515 8.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2309 9.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0368 9.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9440 8.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0453 7.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2449 8.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3377 9.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5372 10.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9569 12.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1651 11.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5640 12.6765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4434 14.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9419 14.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2493 13.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1565 12.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2577 12.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4573 13.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5501 14.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7496 14.6381 0.0000 C 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 22 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 23 21 1 0 0 0 0 34 40 1 0 0 0 39 33 1 0 0 0 33 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 1 0 0 36 30 1 6 0 0 37 31 1 1 0 0 38 32 1 6 0 0 49 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 6 0 0 45 34 1 1 0 0 46 41 1 6 0 0 47 42 1 6 0 0 48 43 1 1 0 0 35 20 1 1 0 0 55 61 1 0 0 0 60 54 1 0 0 0 54 56 1 0 0 0 56 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 1 0 0 56 18 1 1 0 0 57 51 1 6 0 0 58 52 1 1 0 0 59 53 1 6 0 0 55 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010082 > Pelargonidin 3-rutinoside-7-(6-(p-hydroxybenzoyl)glucoside) > 3,5,7,4'-Tetrahydroxyflavylium 3-rhamnosyl-(1->6)-glucoside-7-(6-(p-hydroxybenzoyl) glucoside) > C40H45O21 > 861.25 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > ITPPMHAGKJUWHT-SYWFRWIUSA-O > InChI=1S/C40H44O21/c1-15-27(44)30(47)33(50)38(56-15)55-14-26-29(46)32(49)35(52)40(61-26)59-24-12-21-22(43)10-20(11-23(21)58-36(24)16-2-6-18(41)7-3-16)57-39-34(51)31(48)28(45)25(60-39)13-54-37(53)17-4-8-19(42)9-5-17/h2-12,15,25-35,38-40,44-52H,13-14H2,1H3,(H2-,41,42,43,53)/p+1/t15-,25+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,38+,39+,40+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C3C=CC(O)=CC=3)=O)O2)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 100914219 > - > - > - > - > - > 33090; 46246 > - $$$$