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2''-O-alpha-L-rhamnosylisoorietin

MNXM12887 is deprecated and here replaced by MNXM101533
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM101533 Image of MNXM101533
referencechebi:70203
formulaC27H30O15
global charge0
mol weight594.522
InChIKeyIUYFTHKQEWZTHY-QMVGNYJJSA-N
InChIInChI=1S/C27H30O15/c1-8-19(33)22(36)24(38)27(39-8)42-26-23(37)20(34)16(7-28)41-25(26)18-13(32)6-15-17(21(18)35)12(31)5-14(40-15)9-2-3-10(29)11(30)4-9/h2-6,8,16,19-20,22-30,32-38H,7H2,1H3/t8-,16+,19-,20+,22+,23-,24+,25-,26+,27-/m0/s1
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2C2=C(O)C=C3OC(C4=CC(O)=C(O)C=C4)=CC(=O)C3=C2O)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C27H30O15/c1-8-19(33)22(36)24(38)27(39-8)42-26-23(37)20(34)16(7-28)41-25(26)18-13(32)6-15-17(21(18)35)12(31)5-14(40-15)9-2-3-10(29)11(30)4-9/h2-6,8,16,19-20,22-30,32-38H,7H2,1H3/t8-,16+,19-,20+,22+,23-,24+,25-,26+,27-/m0/s1 Image of MNXM101533
SMILES (mnx)[CH3:1][C@H:8]1[C@H:19]([OH:33])[C@@H:22]([OH:36])[C@@H:24]([OH:38])[C@H:27]([O:42][C@@H:26]2[C@@H:23]([OH:37])[C@H:20]([OH:34])[C@@H:16]([CH2:7][OH:28])[O:41][C@H:25]2[C:18]2=[C:21]([OH:35])[C:17]3=[C:15]([CH:6]=[C:13]2[OH:32])[O:40][C:14]([C:9]2=[CH:4][C:11]([OH:30])=[C:10]([OH:29])[CH:3]=[CH:2]2)=[CH:5][C:12]3=[O:31])[O:39]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70203
chebi:70203
IUYFTHKQEWZTHY-QMVGNYJJSA-N 		2''-O-alpha-L-rhamnosylisoorietin
(1S)-1,5-anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol
isoorientin 2''-O-rhamnoside

kegg.compound:C03870
keggC:C03870
lipidmaps:LMPK12110495
lipidmapsM:LMPK12110495
IUYFTHKQEWZTHY-LQQQXCKLSA-N
IUYFTHKQEWZTHY-QMVGNYJJSA-N 		Isoorientin 2''-O-rhamnoside

seed.compound:cpd02413
seedM:cpd02413
IUYFTHKQEWZTHY-LQQQXCKLSA-M 		Isoorientin 2''-O-rhamnoside
rhamnosylisoorientin

metacyc.compound:CPD-9587
metacycM:CPD-9587
IUYFTHKQEWZTHY-QMVGNYJJSA-M 		alpha-L-rhamnosylisoorientin

CHEBI:28596
chebi:28596
IUYFTHKQEWZTHY-LQQQXCKLSA-N 		isoorientin 2''-O-rhamnoside
(1S)-1,5-anhydro-2-O-(6-deoxy-L-mannopyranosyl)-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol
Isoorientin 2''-O-rhamnoside
rhamnosylisoorientin

chebi:24906
chebi:6035
keggC:M_C03870
seedM:M_cpd02413 		secondary/obsolete/fantasy identifier