Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H53NO9 |
| Molecular Weight | 595.7658 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@]([H])(CCC(=O)O)[C@@]1([H])CC[C@@]2([H])[C@@]3([H])[C@]([H])(CC[C@]12C)[C@@]4(C)CC[C@]([H])(C[C@@]4([H])C[C@]3([H])O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(CO)O5)O)O)N=C(C)O)O
InChI
InChIKey=OJWRORNYMMWQQM-ISPNGHFPSA-N
InChI=1S/C32H53NO9/c1-16(5-8-25(37)38)20-6-7-21-26-22(10-12-32(20,21)4)31(3)11-9-19(36)13-18(31)14-23(26)41-30-27(33-17(2)35)29(40)28(39)24(15-34)42-30/h16,18-24,26-30,34,36,39-40H,5-15H2,1-4H3,(H,33,35)(H,37,38)/t16-,18+,19-,20-,21+,22+,23+,24-,26+,27-,28-,29-,30-,31+,32-/m1/s1
| Molecular Formula | C32H53NO9 |
| Molecular Weight | 595.7658 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 06:38:14 UTC 2021
by
admin
on
Sat Jun 26 06:38:14 UTC 2021
|
| Record UNII |
6QF4KW8OG7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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76960933
Created by
admin on Sat Jun 26 06:38:14 UTC 2021 , Edited by admin on Sat Jun 26 06:38:14 UTC 2021
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145624-10-8
Created by
admin on Sat Jun 26 06:38:14 UTC 2021 , Edited by admin on Sat Jun 26 06:38:14 UTC 2021
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6QF4KW8OG7
Created by
admin on Sat Jun 26 06:38:14 UTC 2021 , Edited by admin on Sat Jun 26 06:38:14 UTC 2021
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
IN-VIVO
URINE
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