Mrv1652306292222182D 64 71 0 0 1 0 999 V2000 1.2022 -3.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 -2.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0272 -2.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3491 -1.3001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8044 -0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 0.1317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6745 0.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7459 1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 1.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 0.8260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4341 0.2030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6560 -0.5916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1732 -1.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5131 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -0.1108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7849 0.6691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3258 1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4048 0.3552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8639 -0.2678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1329 -1.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9429 -1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4838 -0.5816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2147 0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9847 0.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3998 1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2937 -0.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5628 -1.5184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3727 -1.6754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6418 -2.4553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1009 -3.0782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2909 -2.9213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0219 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7501 -3.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0191 -4.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3699 -3.8581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4517 -2.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9136 -1.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 -0.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5158 1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2157 1.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5724 0.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.3845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0852 -1.1538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6024 -1.7965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4177 -1.6700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7157 -0.9007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1985 -0.2579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0481 -1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8634 -1.2904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3806 -1.9331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1958 -1.8066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4939 -1.0373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9766 -0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1614 -0.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3091 -0.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 -2.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0825 -2.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 -2.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3044 -2.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -1.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 -2.6172 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 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 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 11 10 1 6 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 4 13 1 0 0 0 0 12 14 1 1 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 18 1 1 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 28 33 1 0 0 0 0 32 34 1 1 0 0 0 34 35 1 0 0 0 0 31 36 1 6 0 0 0 30 37 1 1 0 0 0 29 38 1 6 0 0 0 20 39 1 1 0 0 0 16 40 1 1 0 0 0 10 41 1 6 0 0 0 6 42 1 1 0 0 0 6 43 1 6 0 0 0 44 43 1 6 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 44 49 1 0 0 0 0 48 50 1 6 0 0 0 50 51 1 0 0 0 0 52 51 1 6 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 52 57 1 0 0 0 0 55 58 1 1 0 0 0 54 59 1 6 0 0 0 53 60 1 1 0 0 0 47 61 1 1 0 0 0 46 62 1 6 0 0 0 45 63 1 1 0 0 0 2 64 1 0 0 0 0 M END > NP0139959 > NP-MRD > CC(C)=C[C@H]1C[C@](C)(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)C2CC[C@]3(C)[C@@H]2[C@@H](C[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]32C)O1 > InChI=1S/C47H78O17/c1-21(2)15-22-17-47(8,64-42-39(57)36(54)34(52)27(62-42)20-59-40-37(55)32(50)24(49)19-58-40)23-9-13-46(7)31(23)25(60-22)16-29-44(5)12-11-30(43(3,4)28(44)10-14-45(29,46)6)63-41-38(56)35(53)33(51)26(18-48)61-41/h15,22-42,48-57H,9-14,16-20H2,1-8H3/t22-,23?,24-,25+,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36+,37-,38+,39-,40+,41-,42+,44-,45+,46+,47-/m0/s1 > OIXGCEPBMJMDRD-KYWVTDBVSA-N > C47H78O17 > 915.124 > 914.523901052 > 17 > 142 > 100.04075760014288 > 0 > 10 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(1R,2R,5R,7S,10R,11R,13R,15R,17S,21R)-1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-en-1-yl)-17-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-14-oxapentacyclo[11.7.1.0^{2,11}.0^{5,10}.0^{18,21}]henicosan-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 1.06 > 0.7078643093333359 > -3.75 > 1 > 8 > 0 > 12.202545455502303 > 11.757522146891962 > -3.648377536839617 > 266.90999999999997 > 226.4751000000001 > 9 > 0 > 1.64e-01 g/l > (2R,3R,4S,5S,6R)-2-{[(1R,2R,5R,7S,10R,11R,13R,15R,17S,21R)-1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-en-1-yl)-17-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-14-oxapentacyclo[11.7.1.0^{2,11}.0^{5,10}.0^{18,21}]henicosan-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0139959 > Notoginsenoside L13 $$$$