LMPK12111958 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 15.3481 13.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3481 12.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2656 12.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1831 12.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1831 13.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2656 14.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4306 12.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5131 12.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5957 12.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5957 11.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5131 10.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4306 11.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6781 12.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7605 12.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7605 11.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6781 10.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5131 9.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8430 12.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2092 10.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9545 14.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6781 9.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8289 10.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 9.7547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3672 10.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1094 12.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9754 12.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9683 11.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0952 10.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2348 11.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2419 12.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 12.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0171 9.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1773 7.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5320 6.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4654 9.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2905 9.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1944 9.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2734 8.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4507 7.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5469 8.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7242 7.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9198 9.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8795 7.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8472 7.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6139 6.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7437 9.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9986 8.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 30 25 1 0 0 0 25 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 6 0 0 26 18 1 1 0 0 27 22 1 6 0 0 28 23 1 6 0 0 29 24 1 1 0 0 40 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 0 0 0 40 41 1 6 0 0 36 19 1 1 0 0 37 32 1 6 0 0 38 33 1 6 0 0 39 34 1 1 0 0 32 42 1 0 0 0 33 43 1 0 0 0 43 44 2 0 0 0 43 45 1 0 0 0 42 46 2 0 0 0 42 47 1 0 0 0 M END > LMPK12111958 > Kaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside > > C31H34O16 > 662.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Crassirhizomoside C > FRCCTBPYYAMKIB-REFSOVMKSA-N > InChI=1S/C31H34O16/c1-11-21(36)24(39)25(40)30(41-11)45-17-9-18(35)20-19(10-17)46-26(15-5-7-16(34)8-6-15)28(23(20)38)47-31-29(44-14(4)33)27(43-13(3)32)22(37)12(2)42-31/h5-12,21-22,24-25,27,29-31,34-37,39-40H,1-4H3/t11-,12-,21-,22-,24+,25+,27+,29+,30-,31-/m0/s1 > C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](O)[C@H](C)O2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=CC=2O1 > - > - > - > - > - > - > 11764950 > - > - > - > - > - > 33090 > - $$$$