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Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Properties
Image
Occurences in reactions
MNX_ID
MNXM1376540
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
42
H
46
O
22
charge
0
mass
902.808
reference
lipidmapsM:LMPK12111898
InChIKey
IYWSDKILEAGLBX-YTUFKZFNSA-N
InChI
InChI=1S/C42H46O22/c1-16-28(48)34(54)39(42(58-16)63-38-31(51)27-22(46)12-20(45)13-23(27)60-37(38)18-5-7-19(44)8-6-18)64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-9-21(10-3-17)59-40-35(55)32(52)29(49)24(14-43)61-40/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40+,41-,42-/m0/s1
SMILES
[CH3:1][C@H:16]1[C@H:28]([OH:48])[C@@H:34]([OH:54])[C@@H:39]([O:64][C@H:41]2[C@H:36]([OH:56])[C@@H:33]([OH:53])[C@H:30]([OH:50])[C@@H:25]([CH2:15][O:57][C:26](/[CH:11]=[CH:4]/[c:17]3[cH:2][cH:9][c:21]([O:59][C@H:40]4[C@H:35]([OH:55])[C@@H:32]([OH:52])[C@H:29]([OH:49])[C@@H:24]([CH2:14][OH:43])[O:61]4)[cH:10][cH:3]3)=[O:47])[O:62]2)[C@H:42]([O:63][c:38]2[c:31](=[O:51])[c:27]3[c:22]([OH:46])[cH:12][c:20]([OH:45])[cH:13][c:23]3[o:60][c:37]2-[c:18]2[cH:5][cH:7][c:19]([OH:44])[cH:8][cH:6]2)[O:58]1
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Similar chemical compounds in external resources
Identifier
Description
lipidmaps:LMPK12111898
lipidmapsM:LMPK12111898
Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside