Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C31H37N3O9 |
Molecular Weight | 595.6402 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)N(CCCCOCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C2=NC(C3=CC=CC=C3)=C(N=C2)C4=CC=CC=C4
InChI
InChIKey=WBXBYPNNVWZVPR-SQQOACJHSA-N
InChI=1S/C31H37N3O9/c1-19(2)34(22-17-32-24(20-11-5-3-6-12-20)25(33-22)21-13-7-4-8-14-21)15-9-10-16-41-18-23(35)42-31-28(38)26(36)27(37)29(43-31)30(39)40/h3-8,11-14,17,19,26-29,31,36-38H,9-10,15-16,18H2,1-2H3,(H,39,40)/t26-,27-,28+,29-,31+/m0/s1
Molecular Formula | C31H37N3O9 |
Molecular Weight | 595.6402 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:38:04 GMT 2023
by
admin
on
Sat Dec 16 14:38:04 GMT 2023
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Record UNII |
ME9QGL9THJ
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Record Status |
Validated (UNII)
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Record Version |
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-
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DBMET02144
Created by
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154925796
Created by
admin on Sat Dec 16 14:38:04 GMT 2023 , Edited by admin on Sat Dec 16 14:38:04 GMT 2023
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ME9QGL9THJ
Created by
admin on Sat Dec 16 14:38:04 GMT 2023 , Edited by admin on Sat Dec 16 14:38:04 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> METABOLITE |