Eugeniflorin D1

Properties Image MNX_ID MNXM125573 reference hmdb:HMDB0030497 formula C75H52O48 global charge 0 mol weight 1721.193 InChIKey RZGKUVZIVMMAMQ-UHFFFAOYSA-N InChI InChI=1S/C75H52O48/c76-24-2-1-17(41(85)44(24)88)69(105)120-62-60-36-14-112-68(104)20-11-33(49(93)53(97)39(20)38-19(70(106)118-60)8-30(82)46(90)52(38)96)113-57-22(9-31(83)47(91)55(57)99)72(108)121-63-61(119-65(101)15-3-25(77)42(86)26(78)4-15)59-35(115-74(63)110)13-111-67(103)18-7-29(81)45(89)51(95)37(18)40-21(71(107)117-59)12-34(50(94)54(40)98)114-58-23(10-32(84)48(92)56(58)100)73(109)122-64(62)75(116-36)123-66(102)16-5-27(79)43(87)28(80)6-16/h1-12,35-36,59-64,74-100,110H,13-14H2 SMILES O=C(OC1OC2COC(=O)C3=CC4=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(OC(=O)C2=C(O)C(O)=C(O)C=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=CC2=C(C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OCC1OC(O)C(OC(=O)C3=C(O4)C(O)=C(O)C(O)=C3)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C1OC2=O)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C75H52O48/c76-24-2-1-17(41(85)44(24)88)69(105)120-62-60-36-14-112-68(104)20-11-33(49(93)53(97)39(20)38-19(70(106)118-60)8-30(82)46(90)52(38)96)113-57-22(9-31(83)47(91)55(57)99)72(108)121-63-61(119-65(101)15-3-25(77)42(86)26(78)4-15)59-35(115-74(63)110)13-111-67(103)18-7-29(81)45(89)51(95)37(18)40-21(71(107)117-59)12-34(50(94)54(40)98)114-58-23(10-32(84)48(92)56(58)100)73(109)122-64(62)75(116-36)123-66(102)16-5-27(79)43(87)28(80)6-16/h1-12,35-36,59-64,74-100,110H,13-14H2/t35?,36?,59?,60?,61?,62?,63?,64?,74?,75? SMILES (mnx) [CH:1]1=[CH:2][C:24]([OH:76])=[C:44]([OH:88])[C:41]([OH:85])=[C:17]1[C:69](=[O:105])[O:120][CH:62]1[CH:60]2[CH:36]3[CH2:14][O:112][C:68](=[O:104])[C:20]4=[CH:11][C:33](=[C:49]([OH:93])[C:53]([OH:97])=[C:39]4[C:38]4=[C:19]([CH:8]=[C:30]([OH:82])[C:46]([OH:90])=[C:52]4[OH:96])[C:70](=[O:106])[O:118]2)[O:113][C:57]2=[C:22]([CH:9]=[C:31]([OH:83])[C:47]([OH:91])=[C:55]2[OH:99])[C:72](=[O:108])[O:121][CH:63]2[CH:61]([O:119][C:65]([C:15]4=[CH:3][C:25]([OH:77])=[C:42]([OH:86])[C:26]([OH:78])=[CH:4]4)=[O:101])[CH:59]4[CH:35]([CH2:13][O:111][C:67](=[O:103])[C:18]5=[CH:7][C:29]([OH:81])=[C:45]([OH:89])[C:51]([OH:95])=[C:37]5[C:40]5=[C:21]([CH:12]=[C:34]([C:50]([OH:94])=[C:54]5[OH:98])[O:114][C:58]5=[C:23]([CH:10]=[C:32]([OH:84])[C:48]([OH:92])=[C:56]5[OH:100])[C:73](=[O:109])[O:122][CH:64]1[CH:75]([O:123][C:66]([C:16]1=[CH:5][C:27]([OH:79])=[C:43]([OH:87])[C:28]([OH:80])=[CH:6]1)=[O:102])[O:116]3)[C:71](=[O:107])[O:117]4)[O:115][CH:74]2[OH:110]

Parent-child relations graph

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