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Core4

PropertiesImage
MNX_IDMNXM1104107 Image of MNXM1104107
referencebiggM:core4
formulaC24H40N3O15*
global charge0
mol weight 
InChIKey 
InChI 
SMILES[*][C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O
MNX internals
InChI (mnx)InChI=1/C25H43N3O15/c1-8-15(26-9(2)31)23(43-25-17(28-11(4)33)22(38)19(35)13(6-30)42-25)20(36)14(40-8)7-39-24-16(27-10(3)32)21(37)18(34)12(5-29)41-24/h8,12-25,29-30,34-38H,5-7H2,1-4H3,(H,26,31)(H,27,32)(H,28,33)/t8-,12-,13-,14-,15+,16-,17-,18-,19-,20+,21-,22-,23-,24-,25+/m1/s1/i1+1 Image of MNXM1104107
SMILES (mnx)[13CH3:1][CH2:2][C@@H:3]1[CH2:4][C@@H:5]([CH2:6][CH2:7][C@H:8]2[CH2:9][C@@H:10]([CH3:11])[C@@H:12]([CH2:13][C:14](=[CH2:15])[CH3:16])[C@@H:17]([CH2:18][C@H:19]3[CH2:20][CH:21]([CH2:22][CH3:23])[C@@H:24]([CH3:25])[N:26]([NH2:27])[N:28]3[O:29][O:30](=[O:31])[OH:32])[O:33]2[OH:34])[O@:35]([O:36][O:37](=[O:38])[OH:39])[O:40]([OH:41])[O@@:42]1[OH:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:core4
biggM:core4
Core4

biggM:M_core4
secondary/obsolete/fantasy identifier