16131430 CDK 0128221403 70 80 0 0 0 0 0 0 0 0999 V2000 5.6250 -3.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3175 0.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5963 -3.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 -0.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5589 -2.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4467 2.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3541 2.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9511 -2.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 3.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6678 -1.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5254 -0.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8645 1.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 -1.9520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4366 -1.1477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9223 -0.5027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5098 -2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2327 -2.5691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2530 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5829 -1.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0973 -0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4323 -3.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2410 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2802 0.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9705 -2.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4123 -2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7312 -1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7957 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 -3.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9129 -3.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 -0.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4841 -0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9469 0.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8021 -1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8154 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1029 0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 -3.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0774 -1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2885 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6064 -1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1734 1.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4608 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8496 -0.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 -3.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -1.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0553 1.4814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9961 1.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7111 1.9739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7714 -2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3834 1.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5791 1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6266 2.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3359 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0691 0.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4994 1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0180 2.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0655 3.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2612 3.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7903 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3616 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6830 0.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1042 2.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3753 -0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8041 -0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4713 0.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8926 2.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0966 -0.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0761 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3148 -1.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6683 -0.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 27 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 5 33 1 0 0 0 0 6 47 1 0 0 0 0 6 52 1 0 0 0 0 7 46 1 0 0 0 0 8 48 1 0 0 0 0 9 58 1 0 0 0 0 10 63 1 0 0 0 0 11 64 1 0 0 0 0 12 68 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 69 1 6 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 70 1 6 0 0 0 15 20 1 0 0 0 0 15 23 1 6 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 17 25 1 6 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 2 0 0 0 0 22 31 1 0 0 0 0 22 33 2 0 0 0 0 23 34 2 0 0 0 0 23 35 1 0 0 0 0 24 29 2 0 0 0 0 25 36 2 0 0 0 0 25 37 1 0 0 0 0 26 30 2 0 0 0 0 27 32 2 0 0 0 0 28 29 1 0 0 0 0 30 32 1 0 0 0 0 31 38 2 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 2 0 0 0 0 36 43 1 0 0 0 0 37 44 2 0 0 0 0 38 42 1 0 0 0 0 38 50 1 0 0 0 0 39 42 2 0 0 0 0 40 46 2 0 0 0 0 41 46 1 0 0 0 0 43 48 2 0 0 0 0 44 48 1 0 0 0 0 45 47 1 0 0 0 0 45 49 1 0 0 0 0 45 54 1 1 0 0 0 47 55 1 6 0 0 0 49 51 2 0 0 0 0 49 52 1 0 0 0 0 50 53 2 0 0 0 0 51 53 1 0 0 0 0 51 56 1 0 0 0 0 52 57 2 0 0 0 0 54 59 2 0 0 0 0 54 60 1 0 0 0 0 55 61 2 0 0 0 0 55 62 1 0 0 0 0 56 58 2 0 0 0 0 57 58 1 0 0 0 0 59 64 1 0 0 0 0 60 63 2 0 0 0 0 61 65 1 0 0 0 0 62 66 2 0 0 0 0 63 67 1 0 0 0 0 64 67 2 0 0 0 0 65 68 2 0 0 0 0 66 68 1 0 0 0 0 M END > CHEBI:189580 > Vitisin A > 2 > (1S,8S,9R,16S)-9-[5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol > C56H42O12 > 906.940 > 906.26763 > 0 > O1[C@@H]([C@@]2(C3=C([C@@]([C@H](C4=C2C=C(O)C=C4O)C5=CC=C(O)C=C5)(C=6C=C(C=CC6O)/C=C/C7=C8[C@@H]([C@H](OC8=CC(O)=C7)C9=CC=C(O)C=C9)C%10=CC(O)=CC(O)=C%10)[H])C=C(O)C=C13)[H])C%11=CC=C(O)C=C%11 > InChI=1S/C56H42O12/c57-33-10-4-28(5-11-33)49-51(42-23-40(64)26-47-53(42)54(43-22-39(63)24-45(66)52(43)49)56(68-47)30-8-14-35(59)15-9-30)41-17-27(2-16-44(41)65)1-3-31-18-38(62)25-46-48(31)50(32-19-36(60)21-37(61)20-32)55(67-46)29-6-12-34(58)13-7-29/h1-26,49-51,54-66H/b3-1+/t49-,50+,51+,54+,55-,56-/m1/s1 > XAXVWWYPKOGXSY-DBHYGPPCSA-N > 142449-89-6 > 142449-89-6 $$$$