Mrv0541 11181311042D 34 38 0 0 0 0 999 V2000 8.0083 -20.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0000 -19.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2875 -20.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -20.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7958 -20.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 -18.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -20.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -20.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -19.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 -19.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -19.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2708 -19.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -19.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -18.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -20.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -19.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9958 -18.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -19.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -18.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -19.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -18.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -21.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -20.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -17.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -21.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 -18.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -18.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -19.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -18.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -20.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -19.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -16.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -16.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -20.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 14 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 9 2 0 0 0 0 15 7 1 0 0 0 0 16 15 1 0 0 0 0 2 17 1 1 0 0 0 18 12 1 0 0 0 0 19 10 1 0 0 0 0 16 20 1 0 0 0 0 21 17 1 0 0 0 0 22 3 2 0 0 0 0 1 23 1 1 0 0 0 24 21 2 0 0 0 0 25 8 1 0 0 0 0 26 18 2 0 0 0 0 27 19 2 0 0 0 0 28 20 1 0 0 0 0 29 26 1 0 0 0 0 30 20 1 0 0 0 0 31 20 1 0 0 0 0 32 24 1 0 0 0 0 33 24 1 0 0 0 0 12 10 2 0 0 0 0 4 9 1 0 0 0 0 27 26 1 0 0 0 0 11 7 2 0 0 0 0 16 13 1 0 0 0 0 16 34 1 6 0 0 0 M END > CHEBI:68014 > nigrasin C > An extended flavonoid that is 2,3,5a,10b-tetrahydro-5H-[1]benzofuro[3,2-b]furo[3,2-g]chromene substituted by hydroxy groups at positions 4, 5a and 8, a 2-hydroxypropan-2-yl group at position 2, a prenyl group at position 10b and an oxo group at position 5. It has been isolated from the twigs of Morus nigra. > 3 > (2S*,5aS,10bR)-4,5a,8-trihydroxy-2-(2-hydroxypropan-2-yl)-10b-(3-methylbut-2-en-1-yl)-2,3,5a,10b-tetrahydro-5H-[1]benzofuro[3,2-b]furo[3,2-g]chromen-5-one > C25H26O8 > 454.46910 > 454.16277 > 0 > CC(C)=CC[C@]12Oc3cc4O[C@@H](Cc4c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc21)C(C)(C)O > InChI=1S/C25H26O8/c1-12(2)7-8-24-15-6-5-13(26)9-17(15)33-25(24,30)22(28)20-18(32-24)11-16-14(21(20)27)10-19(31-16)23(3,4)29/h5-7,9,11,19,26-27,29-30H,8,10H2,1-4H3/t19-,24+,25+/m0/s1 > TXDONVUXISPTKQ-QTLGCAHFSA-N > 21444290 > 21401118 $$$$