Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H30O15 |
| Molecular Weight | 594.5181 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI
InChIKey=RTATXGUCZHCSNG-QHWHWDPRSA-N
InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
| Molecular Formula | C27H30O15 |
| Molecular Weight | 594.5181 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:59:20 UTC 2023
by
admin
on
Fri Dec 15 17:59:20 UTC 2023
|
| Record UNII |
4056D20K3H
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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31921-42-3
Created by
admin on Fri Dec 15 17:59:20 UTC 2023 , Edited by admin on Fri Dec 15 17:59:20 UTC 2023
|
NO STRUCTURE GIVEN | |||
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DTXSID50938804
Created by
admin on Fri Dec 15 17:59:20 UTC 2023 , Edited by admin on Fri Dec 15 17:59:20 UTC 2023
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PRIMARY | |||
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69657
Created by
admin on Fri Dec 15 17:59:20 UTC 2023 , Edited by admin on Fri Dec 15 17:59:20 UTC 2023
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PRIMARY | |||
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61606
Created by
admin on Fri Dec 15 17:59:20 UTC 2023 , Edited by admin on Fri Dec 15 17:59:20 UTC 2023
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PRIMARY | |||
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17650-84-9
Created by
admin on Fri Dec 15 17:59:20 UTC 2023 , Edited by admin on Fri Dec 15 17:59:20 UTC 2023
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PRIMARY | |||
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Kaempferol-3-O-rutinoside
Created by
admin on Fri Dec 15 17:59:20 UTC 2023 , Edited by admin on Fri Dec 15 17:59:20 UTC 2023
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PRIMARY | |||
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4056D20K3H
Created by
admin on Fri Dec 15 17:59:20 UTC 2023 , Edited by admin on Fri Dec 15 17:59:20 UTC 2023
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PRIMARY | |||
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5318767
Created by
admin on Fri Dec 15 17:59:20 UTC 2023 , Edited by admin on Fri Dec 15 17:59:20 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
Secondary metabolite detected in developing cacao seeds.
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> IMPURITY |
NMT 2%
USP
|
