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ajugose

PropertiesImage
MNX_IDMNXM10611 Image of MNXM10611
referencechebi:28554
formulaC36H62O31
global charge0
mol weight990.861
InChIKeyNCIHJQNXRKJRMJ-HKJJPIHFSA-N
InChIInChI=1S/C36H62O31/c37-1-8-14(40)20(46)25(51)31(61-8)57-3-10-15(41)21(47)26(52)32(62-10)58-4-11-16(42)22(48)27(53)33(63-11)59-5-12-17(43)23(49)28(54)34(64-12)60-6-13-18(44)24(50)29(55)35(65-13)67-36(7-39)30(56)19(45)9(2-38)66-36/h8-35,37-56H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+/m1/s1
SMILESOC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](OC[C@H]5O[C@H](O[C@]6(CO)O[C@H](CO)[C@@H](O)[C@@H]6O)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C36H62O31/c37-1-8-14(40)20(46)25(51)31(61-8)57-3-10-15(41)21(47)26(52)32(62-10)58-4-11-16(42)22(48)27(53)33(63-11)59-5-12-17(43)23(49)28(54)34(64-12)60-6-13-18(44)24(50)29(55)35(65-13)67-36(7-39)30(56)19(45)9(2-38)66-36/h8-35,37-56H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+/m1/s1 Image of MNXM10611
SMILES (mnx)[CH2:1]([C@@H:8]1[C@H:14]([OH:40])[C@H:20]([OH:46])[C@@H:25]([OH:51])[C@@H:31]([O:57][CH2:3][C@@H:10]2[C@H:15]([OH:41])[C@H:21]([OH:47])[C@@H:26]([OH:52])[C@@H:32]([O:58][CH2:4][C@@H:11]3[C@H:16]([OH:42])[C@H:22]([OH:48])[C@@H:27]([OH:53])[C@@H:33]([O:59][CH2:5][C@@H:12]4[C@H:17]([OH:43])[C@H:23]([OH:49])[C@@H:28]([OH:54])[C@@H:34]([O:60][CH2:6][C@@H:13]5[C@@H:18]([OH:44])[C@H:24]([OH:50])[C@@H:29]([OH:55])[C@@H:35]([O:67][C@@:36]6([CH2:7][OH:39])[C@@H:30]([OH:56])[C@H:19]([OH:45])[C@@H:9]([CH2:2][OH:38])[O:66]6)[O:65]5)[O:64]4)[O:63]3)[O:62]2)[O:61]1)[OH:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28554
chebi:28554
NCIHJQNXRKJRMJ-HKJJPIHFSA-N 		ajugose
Ajugose
alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose
beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf
beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside

seed.compound:cpd05156
seedM:cpd05156
NCIHJQNXRKJRMJ-HKJJPIHFSA-N 		Ajugose
ajugose
alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Galp-(1-6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1->2)-beta-D-Fruf
alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1- 6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose
alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose

metacyc.compound:CPD-8066
metacycM:CPD-8066
NCIHJQNXRKJRMJ-HKJJPIHFSA-N 		ajugose
alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Galp-(1-6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1->2)-beta-D-Fruf

kegg.compound:C08238
keggC:C08238
NCIHJQNXRKJRMJ-HKJJPIHFSA-N 		alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose
Ajugose

chebi:10281
chebi:22452
keggC:M_C08238
seedM:M_cpd05156 		secondary/obsolete/fantasy identifier