芦荟甙(1415-73-2)质谱(MS)
InChI:InChI=1/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/s3
InChIKey: AFHJQYHRLPMKHU-XHRVLHNONA-N
Smiles:[C@@]1([H])([C@H]2[C@H](O)[C@H]([C@H](O)[C@@H](CO)O2)O)C2C=CC=C(O)C=2C(=O)C2=C(O)C=C(CO)C=C12 |&1:0,2,3,5,6,8,r|