Mrv0541 03261509192D 26 27 0 0 0 0 999 V2000 2.4375 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -6.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0125 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -6.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 -7.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 -8.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -6.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -7.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2958 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2875 -6.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -8.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7292 -8.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 -6.9167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4333 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 21 6 1 1 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 15 1 0 0 0 0 10 1 1 0 0 0 0 11 8 1 0 0 0 0 12 23 1 0 0 0 0 13 3 1 0 0 0 0 14 8 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 17 12 1 0 0 0 0 18 12 2 0 0 0 0 19 14 1 0 0 0 0 20 9 1 0 0 0 0 21 19 1 0 0 0 0 22 2 1 0 0 0 0 23 25 1 0 0 0 0 24 21 1 0 0 0 0 25 26 1 0 0 0 0 26 24 1 0 0 0 0 11 7 2 0 0 0 0 9 16 2 0 0 0 0 M END > CHEBI:70696 > (-)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane > A diarylheptanoid that is heptane substituted by an acetoxy group at position 3, a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis. > 3 > (3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-yl acetate > C21H26O5 > 358.42810 > 358.17802 > 0 > CC(=O)O[C@@H](CCCCc1ccc(O)cc1)CCc1ccc(O)c(O)c1 > InChI=1S/C21H26O5/c1-15(22)26-19(12-8-17-9-13-20(24)21(25)14-17)5-3-2-4-16-6-10-18(23)11-7-16/h6-7,9-11,13-14,19,23-25H,2-5,8,12H2,1H3/t19-/m0/s1 > FNZIZWQXFYAOOE-IBGZPJMESA-N > 21038435 $$$$