LMPK12112338 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 0 0 0 0 0999 V2000 7.7077 12.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7077 11.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5579 11.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4081 11.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4081 12.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5579 13.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2585 11.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1087 11.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1087 12.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2585 13.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2585 10.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9585 13.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8250 12.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6917 13.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6917 14.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8250 14.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9585 14.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5579 10.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2300 11.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8578 13.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4415 14.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8347 15.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 16.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0413 12.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8071 11.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8045 9.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1589 9.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2076 7.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1572 10.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0401 11.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9244 10.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9232 9.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0404 9.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0391 8.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0155 5.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5050 6.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4495 7.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2833 7.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1872 6.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 5.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4293 6.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5253 7.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 8.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1614 4.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0811 5.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6001 4.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9713 5.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4483 4.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4041 4.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9032 5.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 5.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4019 4.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 3.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9032 3.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4015 4.2242 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 8 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 1 0 0 42 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 0 0 0 42 43 1 6 0 0 38 28 1 1 0 0 39 35 1 6 0 0 41 36 1 1 0 0 29 19 1 1 0 0 40 44 1 6 0 0 45 46 2 0 0 0 0 45 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 53 1 0 0 0 0 53 54 2 0 0 0 0 54 49 1 0 0 0 0 52 55 1 0 0 0 0 36 45 1 0 0 0 0 M END > LMPK12112338 > Isorhamnetin 3-(4'''-p-coumarylrobinobioside) > 3,5,7,4'-Tetrahydroxy-3'-methoxyflavone 3-(4"'-p-coumarylrobinobioside) > C37H38O18 > 770.21 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > BRALEKVBUFQYGS-HLYLUYEOSA-N > InChI=1S/C37H38O18/c1-15-33(54-25(42)10-5-16-3-7-18(38)8-4-16)30(46)32(48)36(51-15)50-14-24-27(43)29(45)31(47)37(53-24)55-35-28(44)26-21(41)12-19(39)13-23(26)52-34(35)17-6-9-20(40)22(11-17)49-2/h3-13,15,24,27,29-33,36-41,43,45-48H,14H2,1-2H3/b10-5+/t15-,24+,27-,29-,30-,31+,32+,33-,36+,37-/m0/s1 > C1(O)=CC2OC(C3C=C(OC)C(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](OC(/C=C/C5C=CC(O)=CC=5)=O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > 197247 > - > - > - > 6450094 > - > - > - > - > - > 33090; 240009 > - $$$$