6-{[4,4,6a,6b,14b-pentamethyl-11-methylidene-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Properties Image MNX_ID MNXM119774 reference chebi:184457 formula C46H70O18 global charge 0 mol weight 911.048 InChIKey BOUDARFVWGDGSN-UHFFFAOYSA-N InChI InChI=1S/C46H70O18/c1-20-9-14-46(41(58)64-39-32(53)30(51)29(50)24(18-47)60-39)16-15-44(5)21(22(46)17-20)7-8-26-43(4)12-11-27(42(2,3)25(43)10-13-45(26,44)6)61-40-34(55)35(33(54)36(63-40)37(56)57)62-38-31(52)28(49)23(48)19-59-38/h7,22-36,38-40,47-55H,1,8-19H2,2-6H3,(H,56,57) SMILES C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 MNX internals InChI (mnx) InChI=1/C46H70O18/c1-20-9-14-46(41(58)64-39-32(53)30(51)29(50)24(18-47)60-39)16-15-44(5)21(22(46)17-20)7-8-26-43(4)12-11-27(42(2,3)25(43)10-13-45(26,44)6)61-40-34(55)35(33(54)36(63-40)37(56)57)62-38-31(52)28(49)23(48)19-59-38/h7,22-36,38-40,47-55H,1,8-19H2,2-6H3,(H,56,57)/t22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,38?,39?,40?,43?,44?,45?,46? SMILES (mnx) [CH2:1]=[C:20]1[CH2:9][CH2:14][C:46]2([C:41](=[O:58])[O:64][CH:39]3[CH:32]([OH:53])[CH:30]([OH:51])[CH:29]([OH:50])[CH:24]([CH2:18][OH:47])[O:60]3)[CH2:16][CH2:15][C:44]3([CH3:5])[C:21](=[CH:7][CH2:8][CH:26]4[C:43]5([CH3:4])[CH2:12][CH2:11][CH:27]([O:61][CH:40]6[CH:34]([OH:55])[CH:35]([O:62][CH:38]7[CH:31]([OH:52])[CH:28]([OH:49])[CH:23]([OH:48])[CH2:19][O:59]7)[CH:33]([OH:54])[CH:36]([C:37](=[O:56])[OH:57])[O:63]6)[C:42]([CH3:2])([CH3:3])[CH:25]5[CH2:10][CH2:13][C:45]43[CH3:6])[CH:22]2[CH2:17]1

Parent-child relations graph

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