MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0257910
Properties
Image
Occurences in reactions
MNX_ID
MNXM1191794
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
41
H
66
O
19
charge
0
mass
862.41983
reference
envipathM:...825db5991aa3
InChIKey
BTOBZDGYQWJASE-UHFFFAOYSA-N
InChI
InChI=1S/C41H66O19/c1-18-32(48)21(43)11-30(54-18)60-34-23(45)13-31(57-24(34)17-42)59-33-19(2)55-29(12-22(33)44)56-20-5-7-36(3)26-14-27(46)37(4)25(39(51)16-28(47)58-35(39)49)6-8-41(37,53)40(26,52)10-9-38(36,50)15-20/h18-27,29-35,42-46,48-53H,5-17H2,1-4H3
SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8(O)CC(=O)OC8O)CCC7(O)C6(O)CCC5(O)C4)OC3C)OC2CO)CC(O)C1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...825db5991aa3
envipathM:...825db5991aa3
compound 0257910