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Kaempferide 3,7-dirhamnoside

MNXM58591 is deprecated and here replaced by MNXM1370376
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370376 Image of MNXM1370376
referencechebi:168207
formulaC28H32O14
global charge0
mol weight592.55
InChIKeyYJFHLDPUBWHTMO-FLEUXRLZSA-N
InChIInChI=1S/C28H32O14/c1-10-18(30)21(33)23(35)27(38-10)40-14-8-15(29)17-16(9-14)41-25(12-4-6-13(37-3)7-5-12)26(20(17)32)42-28-24(36)22(34)19(31)11(2)39-28/h4-11,18-19,21-24,27-31,33-36H,1-3H3/t10?,11?,18-,19-,21-,22?,23?,24-,27-,28-/m0/s1
SMILESCOC1=CC=C(C2=C(O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)C(=O)C3=C(C=C(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)C=C3O)O2)C=C1
MNX internals
InChI (mnx)InChI=1/C28H32O14/c1-10-18(30)21(33)23(35)27(38-10)40-14-8-15(29)17-16(9-14)41-25(12-4-6-13(37-3)7-5-12)26(20(17)32)42-28-24(36)22(34)19(31)11(2)39-28/h4-11,18-19,21-24,27-31,33-36H,1-3H3/t10?,11?,18-,19-,21-,22?,23?,24-,27-,28-/m0/s1 Image of MNXM1370376
SMILES (mnx)[CH3:1][CH:10]1[C@H:18]([OH:30])[C@H:21]([OH:33])[CH:23]([OH:35])[C@H:27]([O:40][C:14]2=[CH:8][C:15]([OH:29])=[C:17]3[C:16](=[CH:9]2)[O:41][C:25]([C:12]2=[CH:5][CH:7]=[C:13]([O:37][CH3:3])[CH:6]=[CH:4]2)=[C:26]([O:42][C@H:28]2[C@@H:24]([OH:36])[CH:22]([OH:34])[C@@H:19]([OH:31])[CH:11]([CH3:2])[O:39]2)[C:20]3=[O:32])[O:38]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:168207
chebi:168207
YJFHLDPUBWHTMO-FLEUXRLZSA-N 		Kaempferide 3,7-dirhamnoside
5-hydroxy-2-(4-methoxyphenyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one