Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H19O10.Cl |
Molecular Weight | 454.812 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].O[C@H]1CO[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C4=CC=C(O)C(O)=C4)[C@H](O)[C@H]1O
InChI
InChIKey=ORTBMTXABUAMJS-HAHUOHMJSA-N
InChI=1S/C20H18O10.ClH/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8;/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24);1H/t14-,17-,18+,20-;/m0./s1
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C20H18O10 |
Molecular Weight | 418.3509 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:17:38 GMT 2023
by
admin
on
Sat Dec 16 09:17:38 GMT 2023
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Record UNII |
7C8YZ321E8
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code System | Code | Type | Description | ||
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7C8YZ321E8
Created by
admin on Sat Dec 16 09:17:38 GMT 2023 , Edited by admin on Sat Dec 16 09:17:38 GMT 2023
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PRIMARY | |||
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111613-04-8
Created by
admin on Sat Dec 16 09:17:38 GMT 2023 , Edited by admin on Sat Dec 16 09:17:38 GMT 2023
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PRIMARY | |||
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27214-72-8
Created by
admin on Sat Dec 16 09:17:38 GMT 2023 , Edited by admin on Sat Dec 16 09:17:38 GMT 2023
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NON-SPECIFIC SUBSTITUTION | |||
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91810602
Created by
admin on Sat Dec 16 09:17:38 GMT 2023 , Edited by admin on Sat Dec 16 09:17:38 GMT 2023
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PRIMARY | |||
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57186-12-6
Created by
admin on Sat Dec 16 09:17:38 GMT 2023 , Edited by admin on Sat Dec 16 09:17:38 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY |
Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Secondary metabolite detected in developing cacao seeds.
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