LMPK12030015 LIPID_MAPS_STRUCTURE_DATABASE 63 71 0 0 0 999 V2000 11.0669 14.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0669 13.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9331 13.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7994 13.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7994 14.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9331 15.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6659 13.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5320 13.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5320 14.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6659 15.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3983 15.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3983 13.3419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2006 15.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2646 14.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1310 15.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1310 16.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2646 16.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3983 16.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9971 16.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9971 14.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7966 11.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7966 10.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6629 10.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5291 10.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5291 11.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6629 12.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3954 10.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2617 10.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2617 11.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3954 12.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1280 12.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6629 9.3615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9944 11.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8605 12.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8605 13.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9944 13.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1280 13.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7268 13.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7268 11.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1280 10.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2646 17.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9303 10.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0640 10.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1977 10.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1977 9.3615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0640 8.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9303 9.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0640 11.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9303 12.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0640 7.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9303 7.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7966 7.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7966 8.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3315 10.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3315 11.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4652 12.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5989 11.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5989 10.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4652 10.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9303 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4652 13.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 12.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 10.3618 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 0 0 0 8 12 1 1 0 0 0 1 13 1 0 0 0 0 11 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 16 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 21 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 29 31 1 6 0 0 0 23 32 1 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 35 38 1 0 0 0 0 34 39 1 0 0 0 0 7 26 1 6 0 0 0 28 40 1 1 0 0 0 17 41 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 42 1 0 0 0 0 43 48 1 1 0 0 0 21 49 1 0 0 0 0 46 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 47 1 0 0 0 0 44 54 1 6 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 54 1 0 0 0 0 51 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 42 22 1 6 0 0 0 M END > LMPK12030015 > Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol > > C45H38O18 > 866.21 > Polyketides [PK] > Flavonoids [PK12] > Proanthocyanidins [PK1203] > - > > QZNRDKYJASOYMZ-BLBVDZAISA-N > InChI=1S/C45H38O18/c46-18-2-4-20-30(12-18)61-43(16-8-25(50)37(56)26(51)9-16)40(59)32(20)34-36(55)22-14-29(54)42(15-1-6-23(48)24(49)7-15)63-45(22)35(39(34)58)33-21-5-3-19(47)13-31(21)62-44(41(33)60)17-10-27(52)38(57)28(53)11-17/h1-13,29,32-33,40-44,46-60H,14H2/t29-,32-,33-,40-,41-,42+,43+,44+/m0/s1 > C1(O)=CC2O[C@H](C3C=C(O)C(O)=C(O)C=3)[C@@H](O)[C@H](C3=C(O)C([C@@H]4C5C=CC(O)=CC=5O[C@H](C5C=C(O)C(O)=C(O)C=5)[C@H]4O)=C(O)C4C[C@H](O)[C@@H](C5C=CC(O)=C(O)C=5)OC=43)C=2C=C1 > C10239 > - > 8877 > - > - > - > 442689 > - > - > - > - > - > - > - $$$$