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| CAS Number | 476-66-4 |
| Catalog Number | AG003PX9(AGN-PC-0RVMV5) |
| Chemical Name | Ellagic acid |
| EC Number | 207-508-3 |
| IUPAC Name | 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione |
| InChI | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H |
| InChI Key | AFSDNFLWKVMVRB-UHFFFAOYSA-N |
| MDL Number | MFCD00149494 |
| Molecular Formula | C14H6O8 |
| Molecular Weight | 302.1926 |
| SMILES | O=C1C2=CC(O)=C(O)C(O3)=C2C4=C(O1)C(O)=C(O)C=C4C3=O |
| UNII | 19YRN3ZS9P |
| Synonyms | Acid, Benzoaric,
Acid, Ellagic,
Benzoaric Acid,
Ellagic Acid,
ellagic acid,
476-66-4,
Benzoaric acid,
Elagostasine,
Lagistase,
Eleagic acid,
Alizarine Yellow,
2,3,7,8-Tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione,
Gallogen,
Ellagic acid dihydrate,
Llagic acid,
Acide ellagique,
Acido elagico,
Acidum ellagicum,
C.I. 55005,
Gallogen (VAN),
Gallogen (astringent),
C.I. 75270,
Ellagate,
Ellagic acid [INN:DCF],
UNII-19YRN3ZS9P,
Acido elagico [INN-Spanish],
CCRIS 774,
Gallogen, astringent,
Acide ellagique [INN-French],
Acidum ellagicum [INN-Latin],
MLS000069632,
C14H6O8,
EINECS 207-508-3,
MFCD00006914,
NSC407286,
NSC 407286,
NSC 656272,
BRN 0047549,
19YRN3ZS9P,
CHEMBL6246,
SMR000058244,
CHEBI:4775,
AFSDNFLWKVMVRB-UHFFFAOYSA-N,
2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione,
NSC656272,
Ellagic acid, 97%,
NCGC00017245-02,
AK162122,
4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactone,
Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-delta-lactone,
DSSTox_CID_557,
Ellagic acid hydrate,
(1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-,
DSSTox_RID_75657,
DSSTox_GSID_20557,
W-202834,
Ellagicacid,
Pomegranate juice,
[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-,
2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)-(1)benzopyran-5,10-dione,
2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,
CAS-476-66-4,
MFCD00149494,
SR-01000721925,
Benzoarate,
Ellagsaeure,
Polyphenolic,
Eleagate,
Ellagic,
Llagate,
ellagic-acid,
Elagic Acid,
HSDB 7574,
2zjw,
REF,
tetrahydroxy[?]dione,
4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone hydrate,
Spectrum_001194,
Spectrum2_000905,
Spectrum3_001535,
Spectrum4_000750,
Spectrum5_000959,
Oprea1_032884,
SCHEMBL20429,
BSPBio_002950,
KBioGR_001080,
KBioSS_001674,
5-19-07-00108 (Beilstein Handbook Reference),
MLS006011868,
BIDD:ER0482,
BIDD:GT0565,
SPECTRUM1502245,
SPBio_000750,
Ellagic acid, 476-66-4,
BDBM4078,
LTK-20,
DTXSID2020557,
SCHEMBL19184504,
BCBcMAP01_000154,
cid_5281855,
KBio2_001674,
KBio2_004242,
KBio2_006810,
KBio3_002450,
BIE1001,
Ellagic acid, analytical standard,
ZX-AFC000221,
HMS1921N20,
Pharmakon1600-01502245,
BCP10830,
HY-B0183,
KS-00000G4Q,
TNP00132,
ZINC3872446,
Tox21_110805,
6244AF,
BBL009292,
BS0259,
CCG-36358,
CE-039,
NSC758198,
s1327,
SBB006501,
STK801964,
Ellagic acid, >=96.0% (HPCE),
AKOS004120045,
Tox21_110805_1,
CS-2067,
DB08846,
EBD2138595,
LS-1285,
NSC-407286,
NSC-656272,
NSC-758198,
SDCCGMLS-0066664.P001,
SMP1_000111,
NCGC00017245-01,
NCGC00017245-03,
NCGC00017245-04,
NCGC00017245-05,
NCGC00017245-06,
NCGC00017245-07,
NCGC00017245-08,
NCGC00017245-09,
NCGC00017245-10,
NCGC00017245-12,
NCGC00094975-01,
NCGC00094975-02,
NCGC00094975-03,
NCGC00094975-04,
NCGC00178375-01,
AC-11647,
AN-45155,
AS-35095,
CC-27449,
NCI60_003869,
SC-17946,
ST057073,
SBI-0051742.P002,
AB0073029,
AB2000047,
AX8127215,
E0375,
FT-0603405,
H2736,
ST24038499,
C10788,
MLS-0066664.0001,
AB00052292_11,
AB00052292_12,
C-18851,
I04-0032,
SR-01000721925-3,
SR-01000721925-4,
SR-01000721925-5,
SR-01000721925-6,
SR-01000721925-7,
BRD-K30466858-001-05-4,
Ellagic acid, primary pharmaceutical reference standard,
Ellagic acid, >=95% (HPLC), powder, from tree bark,
Diphenic acid,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone,
2,3,7,8-Tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione #,
4,4',5,5',6,6'-HEXAHYDROXYDIPHENIC ACID 2,6,2',6'-,
Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone,
[1]Benzopyrano[5,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-,
2,3,7,8-Tetrahydroxy-[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,
2,3,7,8-Tetrahydroxy[1]benzopyrano-[5,4,3-cde][1]benzopyran-5,10-dione,
[1,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone,
(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone,
4,4 inverted exclamation marka,5,5 inverted exclamation marka,6,6 inverted exclamation marka-Hexahydroxydiphenic acid 2,6,2 inverted exclamation marka,6 inverted exclamation marka-dilactone,
6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0;{4,16}.0;{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione,
6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione,
null,
Elllagicacid,
Thiazovivin,
Acid, Benzoaric,
Acid, Ellagic,
Ellagic acid [DCF:INN],
D0A1CM,
Ellagic acid, 98% - 1KG 1kg,
C14-H6-O8,
ACN-035585,
CID5281855,
A2306,
A10344,
D004610,
N-benzyl-2-(pyrimidin-4-ylamino)thiazole-4-carboxamide,
133039-73-3,
2,3,7,8-Tetrahydroxy[1]-benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,
1226056-71-8,
76-66-4,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.194g/mol |
| Monoisotopic Mass | 302.006g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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