Degalloylrugosin F

Properties Image MNX_ID MNXM124248 reference hmdb:HMDB0039372 formula C75H52O48 global charge 0 mol weight 1721.193 InChIKey XLMXBOORKDWPAX-UHFFFAOYSA-N InChI InChI=1S/C75H52O48/c76-23-1-14(2-24(77)42(23)86)65(102)119-62-60-35(13-113-67(104)16-5-27(80)44(88)51(95)36(16)37-17(70(107)118-60)6-28(81)45(89)52(37)96)116-75(64(62)122-66(103)15-3-25(78)43(87)26(79)4-15)123-73(110)22-10-32(85)49(93)57(101)58(22)114-33-11-21-41(56(100)50(33)94)40-18(7-29(82)48(92)55(40)99)69(106)117-59-34(12-112-68(21)105)115-74(111)63-61(59)120-71(108)19-8-30(83)46(90)53(97)38(19)39-20(72(109)121-63)9-31(84)47(91)54(39)98/h1-11,34-35,59-64,74-101,111H,12-13H2 SMILES O=C(OC1C(OC(=O)C2=C(OC3=CC4=C(C(O)=C3O)C3=C(C=C(O)C(O)=C3O)C(=O)OC3C(COC4=O)OC(O)C4OC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(O)C(O)=C(O)C=C5C(=O)OC43)C(O)=C(O)C(O)=C2)OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C75H52O48/c76-23-1-14(2-24(77)42(23)86)65(102)119-62-60-35(13-113-67(104)16-5-27(80)44(88)51(95)36(16)37-17(70(107)118-60)6-28(81)45(89)52(37)96)116-75(64(62)122-66(103)15-3-25(78)43(87)26(79)4-15)123-73(110)22-10-32(85)49(93)57(101)58(22)114-33-11-21-41(56(100)50(33)94)40-18(7-29(82)48(92)55(40)99)69(106)117-59-34(12-112-68(21)105)115-74(111)63-61(59)120-71(108)19-8-30(83)46(90)53(97)38(19)39-20(72(109)121-63)9-31(84)47(91)54(39)98/h1-11,34-35,59-64,74-101,111H,12-13H2/t34?,35?,59?,60?,61?,62?,63?,64?,74?,75? SMILES (mnx) [CH:1]1=[C:14]([C:65](=[O:102])[O:119][CH:62]2[CH:60]3[CH:35]([CH2:13][O:113][C:67](=[O:104])[C:16]4=[CH:5][C:27]([OH:80])=[C:44]([OH:88])[C:51]([OH:95])=[C:36]4[C:37]4=[C:17]([CH:6]=[C:28]([OH:81])[C:45]([OH:89])=[C:52]4[OH:96])[C:70](=[O:107])[O:118]3)[O:116][CH:75]([O:123][C:73]([C:22]3=[CH:10][C:32]([OH:85])=[C:49]([OH:93])[C:57]([OH:101])=[C:58]3[O:114][C:33]3=[CH:11][C:21]4=[C:41]([C:40]5=[C:55]([OH:99])[C:48]([OH:92])=[C:29]([OH:82])[CH:7]=[C:18]5[C:69](=[O:106])[O:117][CH:59]5[CH:34]([CH2:12][O:112][C:68]4=[O:105])[O:115][CH:74]([OH:111])[CH:63]4[CH:61]5[O:120][C:71](=[O:108])[C:19]5=[C:38]([C:39]6=[C:54]([OH:98])[C:47]([OH:91])=[C:31]([OH:84])[CH:9]=[C:20]6[C:72](=[O:109])[O:121]4)[C:53]([OH:97])=[C:46]([OH:90])[C:30]([OH:83])=[CH:8]5)[C:56]([OH:100])=[C:50]3[OH:94])=[O:110])[CH:64]2[O:122][C:66]([C:15]2=[CH:3][C:25]([OH:78])=[C:43]([OH:87])[C:26]([OH:79])=[CH:4]2)=[O:103])[CH:2]=[C:24]([OH:77])[C:42]([OH:86])=[C:23]1[OH:76]

Parent-child relations graph

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