Mrv0541 12181315162D 49 54 0 0 0 0 999 V2000 14.9917 -0.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7042 -0.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5667 -0.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7167 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1500 0.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2875 -0.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4333 0.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2750 -0.5458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5667 -1.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9958 0.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8583 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7125 -0.1583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8500 -2.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2833 -0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7083 -0.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9917 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2792 -2.1958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9917 -1.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4125 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2792 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8542 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1375 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8750 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4417 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1417 -1.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8583 -0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1708 1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1417 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9958 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4250 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8875 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4208 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9833 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5583 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2792 -3.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4375 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6958 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9917 -2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 -2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6125 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2750 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7542 2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5833 2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2708 -1.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4250 -0.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8500 -1.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 8 1 0 0 0 0 4 2 1 0 0 0 0 5 24 1 0 0 0 0 6 15 1 1 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 5 11 1 1 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 6 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 1 1 0 0 0 0 18 4 2 0 0 0 0 19 17 1 0 0 0 0 20 14 1 0 0 0 0 21 2 1 0 0 0 0 22 8 1 0 0 0 0 23 3 1 0 0 0 0 24 21 1 0 0 0 0 25 5 1 0 0 0 0 26 7 1 0 0 0 0 27 13 1 0 0 0 0 28 11 2 0 0 0 0 29 26 1 0 0 0 0 30 23 1 0 0 0 0 10 31 1 6 0 0 0 12 32 1 1 0 0 0 33 25 1 0 0 0 0 16 34 1 6 0 0 0 1 35 1 1 0 0 0 3 36 1 1 0 0 0 19 37 1 1 0 0 0 38 13 1 0 0 0 0 2 39 1 6 0 0 0 13 40 1 1 0 0 0 20 41 1 1 0 0 0 27 42 1 1 0 0 0 43 38 1 0 0 0 0 44 41 1 0 0 0 0 45 29 1 0 0 0 0 46 29 1 0 0 0 0 8 47 1 6 0 0 0 7 48 1 1 0 0 0 9 49 1 6 0 0 0 22 18 1 0 0 0 0 19 9 1 0 0 0 0 5 7 1 0 0 0 0 27 30 1 0 0 0 0 29 33 1 0 0 0 0 16 20 1 0 0 0 0 M END > CHEBI:69365 > 3beta,6beta,23-trihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopyranoside > A triterpenoid saponin that is the monosaccharide derivative of (3β,6β)-3,6,23-trihydroxyolean-12-en-28-oic acid. It has been isolated from the stem bark of Kalopanax pictus. > 3 > 1-O-[(3beta,6beta)-3,6,23-trihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose > C36H58O10 > 650.83970 > 650.40300 > 0 > CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(43)26(42)25(41)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-23-32(3)10-9-24(40)33(4,18-38)28(32)21(39)16-35(23,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24-,25+,26-,27+,28+,29-,32+,33+,34+,35+,36-/m0/s1 > ACQGRYACYVKOBB-ONXNPAKPSA-N > 21902580 > 21870831 $$$$