Camellioside D

Properties Image MNX_ID MNXM120131 reference hmdb:HMDB0039115 formula C54H88O24 global charge 0 mol weight 1121.274 InChIKey LCUYLFDTSIUOCT-UHFFFAOYSA-N InChI InChI=1S/C54H88O24/c1-49(2)14-15-54(21-58)23(16-49)22-8-9-28-51(5)12-11-30(50(3,4)27(51)10-13-52(28,6)53(22,7)17-29(54)59)74-48-43(78-46-38(67)35(64)32(61)25(19-56)72-46)40(39(68)41(76-48)44(69)70)75-47-42(36(65)33(62)26(20-57)73-47)77-45-37(66)34(63)31(60)24(18-55)71-45/h8,23-43,45-48,55-68H,9-21H2,1-7H3,(H,69,70) SMILES CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 MNX internals InChI (mnx) InChI=1/C54H88O24/c1-49(2)14-15-54(21-58)23(16-49)22-8-9-28-51(5)12-11-30(50(3,4)27(51)10-13-52(28,6)53(22,7)17-29(54)59)74-48-43(78-46-38(67)35(64)32(61)25(19-56)72-46)40(39(68)41(76-48)44(69)70)75-47-42(36(65)33(62)26(20-57)73-47)77-45-37(66)34(63)31(60)24(18-55)71-45/h8,23-43,45-48,55-68H,9-21H2,1-7H3,(H,69,70)/t23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,45?,46?,47?,48?,51?,52?,53?,54? SMILES (mnx) [CH3:1][C:49]1([CH3:2])[CH2:14][CH2:15][C:54]2([CH2:21][OH:58])[CH:23]([CH2:16]1)[C:22]1=[CH:8][CH2:9][CH:28]3[C:51]4([CH3:5])[CH2:12][CH2:11][CH:30]([O:74][CH:48]5[CH:43]([O:78][CH:46]6[CH:38]([OH:67])[CH:35]([OH:64])[CH:32]([OH:61])[CH:25]([CH2:19][OH:56])[O:72]6)[CH:40]([O:75][CH:47]6[CH:42]([O:77][CH:45]7[CH:37]([OH:66])[CH:34]([OH:63])[CH:31]([OH:60])[CH:24]([CH2:18][OH:55])[O:71]7)[CH:36]([OH:65])[CH:33]([OH:62])[CH:26]([CH2:20][OH:57])[O:73]6)[CH:39]([OH:68])[CH:41]([C:44](=[O:69])[OH:70])[O:76]5)[C:50]([CH3:3])([CH3:4])[CH:27]4[CH2:10][CH2:13][C:52]3([CH3:6])[C:53]1([CH3:7])[CH2:17][CH:29]2[OH:59]

Parent-child relations graph

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