Anhydrosafflor Yellow B

Properties Image MNX_ID MNXM119192 reference hmdb:HMDB0031914 formula C48H52O26 global charge 0 mol weight 1044.918 InChIKey LBOXAMKXVULZTI-YDWXAUTNSA-N InChI InChI=1S/C48H52O26/c49-13-22(56)30(57)37(64)40-27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(67)47(70,43(28)69)45-38(65)35(62)31(58)23(14-50)72-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(68)48(71,44(29)74-40)46-39(66)36(63)32(59)24(15-51)73-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-71H,13-15H2/b11-5+,12-6+ SMILES O=C(/C=C/C1=CC=C(O)C=C1)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C2C3=C(OC2C(O)C(O)C(O)CO)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)/C=C/C2=CC=C(O)C=C2)C3=O)C1=O MNX internals InChI (mnx) InChI=1/C48H52O26/c49-13-22(56)30(57)37(64)40-27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(67)47(70,43(28)69)45-38(65)35(62)31(58)23(14-50)72-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(68)48(71,44(29)74-40)46-39(66)36(63)32(59)24(15-51)73-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-71H,13-15H2/b11-5+,12-6+/t22?,23?,24?,27?,30?,31?,32?,35?,36?,37?,38?,39?,40?,45?,46?,47?,48? SMILES (mnx) [CH:1]1=[CH:7][C:18]([OH:52])=[CH:8][CH:2]=[C:16]1/[CH:5]=[CH:11]/[C:20]([C:25]1=[C:41]([OH:67])[C:47]([CH:45]2[CH:38]([OH:65])[CH:35]([OH:62])[CH:31]([OH:58])[CH:23]([CH2:14][OH:50])[O:72]2)([OH:70])[C:43]([OH:69])=[C:28]([CH:27]2[C:29]3=[C:44]([C:48]([CH:46]4[CH:39]([OH:66])[CH:36]([OH:63])[CH:32]([OH:59])[CH:24]([CH2:15][OH:51])[O:73]4)([OH:71])[C:42]([OH:68])=[C:26]([C:21](/[CH:12]=[CH:6]/[C:17]4=[CH:4][CH:10]=[C:19]([OH:53])[CH:9]=[CH:3]4)=[O:55])[C:34]3=[O:61])[O:74][CH:40]2[CH:37]([CH:30]([CH:22]([CH2:13][OH:49])[OH:56])[OH:57])[OH:64])[C:33]1=[O:60])=[O:54]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0