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

Isomargaritene

Properties Image Occurences in reactions MNX_ID MNXM1376503 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C28H32O14 charge 0 mass 592.55 reference chebi:176168 InChIKey JIKPWRRUSIBFLE-VTGXRVFJSA-N InChI InChI=1S/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-14(31)8-16-18(22(19)34)13(30)7-15(40-16)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3/t10?,17?,20-,21+,23-,24-,25?,26-,27?,28-/m0/s1 SMILES [CH3:1][CH:10]1[C@H:20]([OH:32])[C@H:23]([OH:35])[CH:25]([OH:37])[C@H:28]([O:42][CH:27]2[C@@H:24]([OH:36])[C@H:21]([OH:33])[CH:17]([CH2:9][OH:29])[O:41][C@H:26]2[c:19]2[c:14]([OH:31])[cH:8][c:16]3[c:18]([c:13](=[O:30])[cH:7][c:15](-[c:11]4[cH:3][cH:5][c:12]([O:38][CH3:2])[cH:6][cH:4]4)[o:40]3)[c:22]2[OH:34])[O:39]1

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:176168 chebi:176168	Isomargaritene 6-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one