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quercetin 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside

MNXM21433 is deprecated and here replaced by MNXM1371399
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371399 Image of MNXM1371399
referencechebi:141399
formulaC27H30O16
global charge0
mol weight610.521
InChIKeyOTUCXMIQUNROBJ-NVPNHPEKSA-N
InChIInChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
SMILESC[C@@H]1O[C@H](OC2=CC3=C(C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(C4=CC=C(O)C(O)=C4)O3)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 Image of MNXM1371399
SMILES (mnx)[CH3:1][C@H:8]1[C@H:17]([OH:32])[C@@H:20]([OH:35])[C@@H:22]([OH:37])[C@@H:26]([O:40][C:10]2=[CH:5][C:13]([OH:31])=[C:16]3[C:14](=[CH:6]2)[O:41][C:24]([C:9]2=[CH:4][C:12]([OH:30])=[C:11]([OH:29])[CH:3]=[CH:2]2)=[C:25]([O:43][C@H:27]2[C@H:23]([OH:38])[C@@H:21]([OH:36])[C@H:18]([OH:33])[C@@H:15]([CH2:7][OH:28])[O:42]2)[C:19]3=[O:34])[O:39]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:141399
chebi:141399
OTUCXMIQUNROBJ-NVPNHPEKSA-N 		quercetin 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside
quercetin 3-O-glucoside 7-O-rhamnoside

metacyc.compound:CPD-5521
metacycM:CPD-5521
seed.compound:cpd24577
seedM:cpd24577
OTUCXMIQUNROBJ-NVPNHPEKSA-M
OTUCXMIQUNROBJ-NVPNHPEKSA-N 		quercetin-3-O-glucoside-7-O-rhamnoside

seedM:M_cpd24577 		secondary/obsolete/fantasy identifier