Marvin 11151209232D 36 39 0 0 0 0 999 V2000 4.3217 -4.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3207 -5.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0312 -6.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0295 -4.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7447 -4.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7479 -5.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 -6.0370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4604 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1766 -4.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1772 -5.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8973 -6.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6136 -5.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6122 -4.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8915 -4.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0273 -3.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4517 -3.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 -3.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3261 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4688 -6.8613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7532 -7.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7538 -8.0946 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4682 -8.5060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1797 -8.0953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1809 -7.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8946 -8.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4676 -9.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0465 -8.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -6.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -9.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 -9.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7526 -9.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6159 -9.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9048 -9.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 -8.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7477 -6.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1763 -6.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 9 8 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 4 15 1 0 0 0 0 8 16 2 0 0 0 0 14 17 1 0 0 0 0 12 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 7 19 1 0 0 0 0 23 25 1 1 0 0 0 22 26 1 6 0 0 0 21 27 1 6 0 0 0 20 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 7 35 1 6 0 0 0 19 36 1 1 0 0 0 M END > CHEBI:65398 > alvaradoin M > A C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a 3-O-senecioyl-α-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma. > 3 > (10S)-C-(3-O-senecioyl)-beta-L-lyxopyranosyl-1,8-dihydroxy-3-methylanthracen-9(10H)-one > (5R)-5-[(9S)-4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl]-3-O-(3-methylbut-2-enoyl)-alpha-L-lyxopyranose > C25H26O9 > 470.46850 > 470.15768 > 0 > [H][C@]1(O[C@@H](O)[C@H](O)[C@H](OC(=O)C=C(C)C)[C@H]1O)[C@@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(C)cc12 > InChI=1S/C25H26O9/c1-10(2)7-16(28)33-24-21(30)23(34-25(32)22(24)31)17-12-5-4-6-14(26)18(12)20(29)19-13(17)8-11(3)9-15(19)27/h4-9,17,21-27,30-32H,1-3H3/t17-,21-,22+,23-,24+,25+/m0/s1 > XVEVCPOACUOIOH-AEPXPHGDSA-N > 11184545 > 17552563 $$$$