lambertianin C

Properties Image MNX_ID MNXM130483 reference chebi:192502 formula C82H54O52 global charge 0 mol weight 1871.282 InChIKey FFZOOOCGCNFHAQ-UTIVGCTBSA-N InChI InChI=1S/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2/t34-,35-,64-,65-,67+,68+,69-,70-,81+,82+/m1/s1 SMILES O=C(O[C@@H]1O[C@@H]2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]2[C@@H]2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)O[C@@H]12)C1=CC(OC2=C(O)C(O)=C(O)C3=C2C(=O)O[C@H]2[C@@H]4OC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(C=C(O)C(O)=C5O)C(=O)O[C@H]4[C@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)O[C@@H]2COC(=O)C2=C3C(O)=C(O)C(O)=C2)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2/t34-,35-,64-,65-,67+,68+,69-,70-,81+,82+/m1/s1 SMILES (mnx) [CH:1]1=[C:14]([C:71](=[O:112])[O:133][C@H:81]2[C@H:70]3[C@H:68]([C@H:65]4[C@@H:35]([CH2:13][O:123][C:74](=[O:115])[C:17]5=[CH:6][C:27]([OH:87])=[C:53]([OH:101])[C:60]([OH:108])=[C:42]5[C:43]5=[C:44]([C:66]([O:124][C:33]6=[CH:4][C:15]([C:72](=[O:113])[O:134][C@H:82]7[C@H:69]8[C@H:67]([C@H:64]9[C@@H:34]([CH2:12][O:122][C:73](=[O:114])[C:16]%10=[CH:5][C:26]([OH:86])=[C:47]([OH:95])[C:54]([OH:102])=[C:36]%10[C:37]%10=[C:18]([CH:7]=[C:28]([OH:88])[C:48]([OH:96])=[C:55]%10[OH:103])[C:75](=[O:116])[O:127]9)[O:125]7)[O:129][C:76](=[O:117])[C:19]7=[C:38]([C:40]9=[C:58]([OH:106])[C:51]([OH:99])=[C:31]([OH:91])[CH:10]=[C:21]9[C:78](=[O:119])[O:131]8)[C:56]([OH:104])=[C:49]([OH:97])[C:29]([OH:89])=[CH:8]7)=[CH:3][C:25]([OH:85])=[C:46]6[OH:94])=[C:63]([OH:111])[C:62]([OH:110])=[C:61]5[OH:109])[C:80](=[O:121])[O:128]4)[O:126]2)[O:130][C:77](=[O:118])[C:20]2=[C:39]([C:41]4=[C:59]([OH:107])[C:52]([OH:100])=[C:32]([OH:92])[CH:11]=[C:22]4[C:79](=[O:120])[O:132]3)[C:57]([OH:105])=[C:50]([OH:98])[C:30]([OH:90])=[CH:9]2)[CH:2]=[C:24]([OH:84])[C:45]([OH:93])=[C:23]1[OH:83]

Parent-child relations graph

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