**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Tubeimoside I

Properties Image with InChI numbering Occurences in reactions MNX_ID MNXM1380885 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C63H98O29 charge 0 mass 1319.448 reference seedM:cpd05883 InChIKey MCPFEAJYKIXPQF-RCUKGBRXSA-N InChI InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28-,29-,30+,31-,32+,33-,34+,35+,38-,39-,40+,41-,42-,43+,44+,45?,46-,47?,48-,49+,50-,51-,52-,53-,54-,55-,58-,59-,60-,61+,62+,63-/m0/s1 SMILES [CH3:1][C@H:26]1[C@H:46]2[CH:47]([O:88][C@H:51]3[C@H:43]([OH:76])[C@@H:38]([OH:71])[C@H:30]([OH:67])[CH2:22][O:81]3)[CH:45]([OH:78])[C@@H:53]([O:84]1)[O:90][C@H:48]1[C@@H:39]([OH:72])[C@@H:31]([OH:68])[CH2:23][O:82][C@H:54]1[O:92][C:56](=[O:79])[C@:63]13[CH2:15][CH2:13][C:57]([CH3:2])([CH3:3])[CH2:17][C@H:28]1[C:27]1=[CH:9][CH2:10][C@@H:35]4[C@@:59]5([CH3:5])[CH2:18][C@H:29]([OH:66])[C@@H:50]([C@@:60]([CH3:6])([CH2:25][OH:65])[C@@H:34]5[CH2:11][CH2:12][C@@:62]4([CH3:8])[C@:61]1([CH3:7])[CH2:14][CH2:16]3)[O:91][C@H:55]1[C@@H:49]([C@@H:42]([OH:75])[C@H:40]([OH:73])[C@@H:32]([CH2:21][OH:64])[O:86]1)[O:89][C@H:52]1[C@H:44]([OH:77])[C@@H:41]([OH:74])[C@H:33]([CH2:24][O:83]1)[O:85][C:36](=[O:69])[CH2:19][C@:58]([CH3:4])([OH:80])[CH2:20][C:37](=[O:70])[O:87]2

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources

Identifier	Description
seed.compound:cpd05883 seedM:cpd05883	Tubeimoside I
seedM:M_cpd05883	secondary/obsolete/fantasy identifier