MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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compound 0218373
Properties
Image
Occurences in reactions
MNX_ID
MNXM1298662
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
28
H
47
O
12
charge
-1
mass
575.3073
reference
envipathM:...f623e58a06e2
InChIKey
VPCOZZFBOOWFGW-SSUZZMKVSA-M
InChI
InChI=1S/C28H48O12/c1-10-18(29)28(9,38)23(32)14(3)20(30)13(2)11-26(7,36)22(31)15(4)21(16(5)25(34)35)40-19-12-27(8,37)24(33)17(6)39-19/h13-19,21,23,29,32,36-38H,10-12H2,1-9H3,(H,34,35)/p-1/t13-,14+,15+,16-,17+,18-,19+,21+,23-,26-,27-,28-/m1/s1
SMILES
CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)C(=O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(O)C(=O)[C@H](C)O1)[C@@H](C)C(=O)[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...85603968546b
envipathM:...85603968546b
envipath:...f623e58a06e2
envipathM:...f623e58a06e2
compound 0218373