Mrv0541 12181316162D 38 42 0 0 0 0 999 V2000 13.4333 -10.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4458 -9.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7208 -11.0708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2958 -11.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8792 -9.8542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1625 -9.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0083 -10.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3000 -11.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5833 -12.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7292 -9.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5917 -10.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1458 -11.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7250 -11.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0083 -9.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8667 -10.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5833 -10.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0083 -12.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6042 -9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1750 -8.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 -11.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9042 -8.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5917 -11.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 -11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6208 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1708 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 -11.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3042 -9.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7167 -10.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -10.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9917 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1583 -12.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -13.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6625 -7.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4875 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3125 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1583 -10.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5833 -11.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0042 -11.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 2 2 0 0 0 0 5 11 1 1 0 0 0 1 12 1 0 0 0 0 3 13 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 4 16 1 0 0 0 0 17 13 1 0 0 0 0 18 5 1 0 0 0 0 19 6 1 0 0 0 0 9 20 1 0 0 0 0 21 19 1 0 0 0 0 22 11 2 0 0 0 0 23 16 1 0 0 0 0 24 21 1 0 0 0 0 9 25 1 6 0 0 0 1 26 1 6 0 0 0 27 11 1 0 0 0 0 3 28 1 1 0 0 0 4 29 1 1 0 0 0 9 30 1 0 0 0 0 20 31 1 1 0 0 0 32 25 1 0 0 0 0 33 34 1 0 0 0 0 34 21 1 0 0 0 0 21 35 1 1 0 0 0 6 36 1 1 0 0 0 8 37 1 6 0 0 0 7 38 1 6 0 0 0 5 15 1 0 0 0 0 7 14 1 0 0 0 0 8 17 1 0 0 0 0 24 18 1 0 0 0 0 20 23 1 0 0 0 0 M END > CHEBI:69368 > nipponogenin E > A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3, 23 and 29. It has been isolated from the stem bark of Kalopanax pictus. > 3 > 29-hydroxyhederagenin > (3beta)-3,23,29-trihydroxyolean-12-en-28-oic acid > C30H48O5 > 488.69910 > 488.35017 > 0 > C[C@@]1(CO)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O > InChI=1S/C30H48O5/c1-25(17-31)12-14-30(24(34)35)15-13-28(4)19(20(30)16-25)6-7-22-26(2)10-9-23(33)27(3,18-32)21(26)8-11-29(22,28)5/h6,20-23,31-33H,7-18H2,1-5H3,(H,34,35)/t20-,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1 > LQETVSULLNKTKF-LYABJINESA-N > 8744876 > 21870831; 23444041 $$$$