Camellioside C

Properties Image MNX_ID MNXM120130 reference hmdb:HMDB0039006 formula C53H82O23 global charge 0 mol weight 1087.216 InChIKey SKIHUNYUOHGHDD-UHFFFAOYSA-N InChI InChI=1S/C53H82O23/c1-49(2)13-10-21-22(16-49)23-8-9-29-51(5)14-12-30(50(3,4)28(51)11-15-52(29,6)53(23,7)17-24(21)57)72-48-43(76-46-38(65)35(62)32(59)26(19-55)70-46)40(39(66)41(74-48)44(67)68)73-47-42(36(63)33(60)27(20-56)71-47)75-45-37(64)34(61)31(58)25(18-54)69-45/h8,25-43,45-48,54-56,58-66H,9-20H2,1-7H3,(H,67,68) SMILES CC1(C)CCC2=C(C1)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2=O MNX internals InChI (mnx) InChI=1/C53H82O23/c1-49(2)13-10-21-22(16-49)23-8-9-29-51(5)14-12-30(50(3,4)28(51)11-15-52(29,6)53(23,7)17-24(21)57)72-48-43(76-46-38(65)35(62)32(59)26(19-55)70-46)40(39(66)41(74-48)44(67)68)73-47-42(36(63)33(60)27(20-56)71-47)75-45-37(64)34(61)31(58)25(18-54)69-45/h8,25-43,45-48,54-56,58-66H,9-20H2,1-7H3,(H,67,68)/t25?,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? SMILES (mnx) [CH3:1][C:49]1([CH3:2])[CH2:13][CH2:10][C:21]2=[C:22]([CH2:16]1)[C:23]1=[CH:8][CH2:9][CH:29]3[C:51]4([CH3:5])[CH2:14][CH2:12][CH:30]([O:72][CH:48]5[CH:43]([O:76][CH:46]6[CH:38]([OH:65])[CH:35]([OH:62])[CH:32]([OH:59])[CH:26]([CH2:19][OH:55])[O:70]6)[CH:40]([O:73][CH:47]6[CH:42]([O:75][CH:45]7[CH:37]([OH:64])[CH:34]([OH:61])[CH:31]([OH:58])[CH:25]([CH2:18][OH:54])[O:69]7)[CH:36]([OH:63])[CH:33]([OH:60])[CH:27]([CH2:20][OH:56])[O:71]6)[CH:39]([OH:66])[CH:41]([C:44](=[O:67])[OH:68])[O:74]5)[C:50]([CH3:3])([CH3:4])[CH:28]4[CH2:11][CH2:15][C:52]3([CH3:6])[C:53]1([CH3:7])[CH2:17][C:24]2=[O:57]

Parent-child relations graph

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