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avenate A

PropertiesImage
MNX_IDMNXM167143 Image of MNXM167143
referencemetacycM:CPD-19378
formulaC12H21N2O8
global charge-1
mol weight321.306
InChIKeyQUKMQOBHQMWLLR-JVIMKECRSA-M
InChIInChI=1S/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)/p-1/t7-,8-,9?/m0/s1
SMILESO=C([O-])C(O)CC[NH2+][C@@H](CC[NH2+][C@@H](CCO)C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)/t7-,8-,9?/m0/s1 Image of MNXM167143
SMILES (mnx)[CH2:1]([CH2:4][NH:13][C@@H:8]([CH2:3][CH2:6][OH:15])[C:11](=[O:19])[OH:20])[C@@H:7]([C:10](=[O:17])[OH:18])[NH:14][CH2:5][CH2:2][CH:9]([C:12](=[O:21])[OH:22])[OH:16]
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

metacyc.compound:CPD-19378
metacycM:CPD-19378
QUKMQOBHQMWLLR-JVIMKECRSA-M 		avenate A
Avenic acid A

seed.compound:cpd33226
seedM:cpd33226
QUKMQOBHQMWLLR-JVIMKECRSA-M 		Avenic acid A
avenate A

seedM:M_cpd33226 		secondary/obsolete/fantasy identifier