MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0277488
Properties
Image
Occurences in reactions
MNX_ID
MNXM1340637
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
41
H
62
O
16
charge
0
mass
810.40379
reference
envipathM:...7ba6021bb8c9
InChIKey
CSVRKTZBOOXBNM-UHFFFAOYSA-N
InChI
InChI=1S/C41H62O16/c1-18-36(49)26(43)13-34(52-18)57-38-28(45)15-35(55-29(38)16-42)56-37-19(2)53-33(14-27(37)44)54-22-10-21-5-6-24-25(39(21,3)30(46)11-22)12-31(47)40(4)23(7-8-41(24,40)50)20-9-32(48)51-17-20/h16,18-30,33-38,43-46,49-50H,5-15,17H2,1-4H3
SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C5CC(=O)C5(C)C(C7COC(=O)C7)CCC65O)C4)OC3C)OC2C=O)CC(O)C1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...7ba6021bb8c9
envipathM:...7ba6021bb8c9
compound 0277488