Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C35H36N2O13 |
Molecular Weight | 692.6659 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](N(CC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(=O)OC2=CC=C(O)C=C2)C3=CC=C(OCCC4=C(C)OC(=N4)C5=CC=CC=C5)C=C3
InChI
InChIKey=HXRMDUSWAOXYFQ-CRGLGLDNSA-N
InChI=1S/C35H36N2O13/c1-19(21-8-12-24(13-9-21)46-17-16-26-20(2)47-32(36-26)22-6-4-3-5-7-22)37(35(45)48-25-14-10-23(38)11-15-25)18-27(39)49-34-30(42)28(40)29(41)31(50-34)33(43)44/h3-15,19,28-31,34,38,40-42H,16-18H2,1-2H3,(H,43,44)/t19-,28-,29-,30+,31-,34+/m0/s1
Molecular Formula | C35H36N2O13 |
Molecular Weight | 692.6659 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:11:08 GMT 2023
by
admin
on
Sat Dec 16 16:11:08 GMT 2023
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Record UNII |
6UU4H3PMF8
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Record Status |
Validated (UNII)
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Record Version |
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-
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118753158
Created by
admin on Sat Dec 16 16:11:08 GMT 2023 , Edited by admin on Sat Dec 16 16:11:08 GMT 2023
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6UU4H3PMF8
Created by
admin on Sat Dec 16 16:11:08 GMT 2023 , Edited by admin on Sat Dec 16 16:11:08 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> METABOLITE |
TRACE
URINE
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