Camelliasaponin B1

Properties Image MNX_ID MNXM120113 reference hmdb:HMDB0040750 formula C58H90O26 global charge 0 mol weight 1203.332 InChIKey YJHRQOHLZPTSKZ-PGGKNCGUSA-N InChI InChI=1S/C58H90O26/c1-9-24(2)48(75)77-23-58-26(16-53(3,4)17-32(58)63)25-10-11-31-54(5)14-13-34(55(6,22-61)30(54)12-15-56(31,7)57(25,8)18-33(58)64)80-52-46(84-50-41(71)39(69)37(67)29(20-60)79-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(62)21-76-51)83-49-40(70)38(68)36(66)28(19-59)78-49/h9-10,22,26-46,49-52,59-60,62-72H,11-21,23H2,1-8H3,(H,73,74)/b24-9+ SMILES C/C=C(\C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C=O)C4CCC3(C)C1(C)CC2O MNX internals InChI (mnx) InChI=1/C58H90O26/c1-9-24(2)48(75)77-23-58-26(16-53(3,4)17-32(58)63)25-10-11-31-54(5)14-13-34(55(6,22-61)30(54)12-15-56(31,7)57(25,8)18-33(58)64)80-52-46(84-50-41(71)39(69)37(67)29(20-60)79-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(62)21-76-51)83-49-40(70)38(68)36(66)28(19-59)78-49/h9-10,22,26-46,49-52,59-60,62-72H,11-21,23H2,1-8H3,(H,73,74)/b24-9+/t26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,49?,50?,51?,52?,54?,55?,56?,57?,58? SMILES (mnx) [CH3:1]/[CH:9]=[C:24](\[CH3:2])[C:48](=[O:75])[O:77][CH2:23][C:58]12[CH:26]([CH2:16][C:53]([CH3:3])([CH3:4])[CH2:17][CH:32]1[OH:63])[C:25]1=[CH:10][CH2:11][CH:31]3[C:54]4([CH3:5])[CH2:14][CH2:13][CH:34]([O:80][CH:52]5[CH:46]([O:84][CH:50]6[CH:41]([OH:71])[CH:39]([OH:69])[CH:37]([OH:67])[CH:29]([CH2:20][OH:60])[O:79]6)[CH:43]([O:81][CH:51]6[CH:45]([O:83][CH:49]7[CH:40]([OH:70])[CH:38]([OH:68])[CH:36]([OH:66])[CH:28]([CH2:19][OH:59])[O:78]7)[CH:35]([OH:65])[CH:27]([OH:62])[CH2:21][O:76]6)[CH:42]([OH:72])[CH:44]([C:47](=[O:73])[OH:74])[O:82]5)[C:55]([CH3:6])([CH:22]=[O:61])[CH:30]4[CH2:12][CH2:15][C:56]3([CH3:7])[C:57]1([CH3:8])[CH2:18][CH:33]2[OH:64]

Parent-child relations graph

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