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Jaceidin 7-neohesperidoside

PropertiesImageOccurences in reactions
MNX_IDMNXM1376538Image of MNXM1376538
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC30H36O17
charge0
mass668.601
referencechebi:166629
InChIKeyHZEWHESQZMJCAC-YZMAUXSESA-N
InChIInChI=1S/C30H36O17/c1-10-18(33)22(37)24(39)29(43-10)47-28-23(38)19(34)16(9-31)46-30(28)45-15-8-14-17(20(35)26(15)41-3)21(36)27(42-4)25(44-14)11-5-6-12(32)13(7-11)40-2/h5-8,10,16,18-19,22-24,28-35,37-39H,9H2,1-4H3/t10?,16?,18-,19+,22-,23-,24?,28?,29-,30+/m0/s1
SMILES[CH3:1][CH:10]1[C@H:18]([OH:33])[C@H:22]([OH:37])[CH:24]([OH:39])[C@H:29]([O:47][CH:28]2[C@@H:23]([OH:38])[C@H:19]([OH:34])[CH:16]([CH2:9][OH:31])[O:46][C@H:30]2[O:45][c:15]2[cH:8][c:14]3[c:17]([c:20]([OH:35])[c:26]2[O:41][CH3:3])[c:21](=[O:36])[c:27]([O:42][CH3:4])[c:25](-[c:11]2[cH:5][cH:6][c:12]([OH:32])[c:13]([O:40][CH3:2])[cH:7]2)[o:44]3)[O:43]1
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IdentifierDescription
CHEBI:166629
chebi:166629
Jaceidin 7-neohesperidoside
7-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one