Mrv0541 11211308452D 41 46 0 0 0 0 999 V2000 28.6557 -2.9025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.6557 -2.0773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.6599 -3.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3689 -3.3130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.3689 -1.6627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.8036 -0.8541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.0958 1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0779 -2.0773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.9466 -1.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0916 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9466 -3.3171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.7911 -1.6751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 33.3743 -0.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5872 -0.6095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.3826 1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6653 0.3359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.0779 -2.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2293 -2.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2293 -2.9025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 31.8567 0.1700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.6653 1.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0904 -0.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3647 -0.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5706 -1.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0640 -1.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8006 -0.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9466 -0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6516 -1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9466 -4.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8172 1.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7952 -0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5161 -3.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3909 2.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5263 1.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3094 0.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7988 -2.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0779 -1.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.4123 -0.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3689 -2.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.0806 0.9163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.7911 -2.5003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 4 1 1 0 0 0 0 2 5 1 0 0 0 0 12 6 1 0 0 0 0 7 15 2 0 0 0 0 8 17 1 0 0 0 0 2 9 1 0 0 0 0 10 13 1 0 0 0 0 1 11 1 0 0 0 0 8 12 1 0 0 0 0 16 13 1 0 0 0 0 6 14 1 0 0 0 0 15 21 1 0 0 0 0 20 16 1 0 0 0 0 4 17 1 0 0 0 0 19 18 1 0 0 0 0 11 19 1 0 0 0 0 14 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 0 0 0 0 5 23 1 0 0 0 0 12 24 1 0 0 0 0 25 24 1 0 0 0 0 26 10 2 0 0 0 0 27 9 2 0 0 0 0 2 28 1 1 0 0 0 11 29 1 1 0 0 0 30 7 1 0 0 0 0 6 31 1 1 0 0 0 19 32 1 1 0 0 0 33 15 1 0 0 0 0 34 30 1 0 0 0 0 20 35 1 6 0 0 0 36 32 1 0 0 0 0 8 37 1 1 0 0 0 14 38 1 6 0 0 0 5 39 1 6 0 0 0 16 40 1 6 0 0 0 12 41 1 6 0 0 0 4 3 1 1 0 0 0 18 9 1 0 0 0 0 5 8 1 0 0 0 0 6 22 1 0 0 0 0 14 25 1 0 0 0 0 7 10 1 0 0 0 0 M END > CHEBI:69121 > 2,3-dihydro-3beta-methoxy withaferin A > A withanolide that is 2,3-dihydrowithaferin A substituted by a β-methoxy group at position 3. It has been isolated from the aerial parts of Physalis longifolia. > 3 > Quresimine A > (3beta,4beta,5beta,6beta,22R)-4,27-dihydroxy-3-methoxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione > C29H42O7 > 502.63960 > 502.29305 > 0 > CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@@]23[C@H]1O)[C@H](C)[C@H]1CC(C)=C(CO)C(=O)O1 > InChI=1S/C29H42O7/c1-14-10-21(35-26(33)17(14)13-30)15(2)18-6-7-19-16-11-24-29(36-24)25(32)22(34-5)12-23(31)28(29,4)20(16)8-9-27(18,19)3/h15-16,18-22,24-25,30,32H,6-13H2,1-5H3/t15-,16-,18+,19-,20-,21+,22-,24+,25-,27+,28-,29-/m0/s1 > MKTMIPAPOLDOQT-QAYSIJLNSA-N > 6773328 > 22098611 $$$$