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Details

Stereochemistry ACHIRAL
Molecular Formula C25H22O10
Molecular Weight 482.4362
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UMBILICARIC ACID

SMILES

COC1=C(C(=O)OC2=CC(C)=C(C(=O)OC3=CC(C)=C(C(O)=O)C(O)=C3)C(O)=C2)C(C)=CC(O)=C1

InChI

InChIKey=RLRCNRNYRSKNOO-UHFFFAOYSA-N
InChI=1S/C25H22O10/c1-11-5-14(26)8-19(33-4)22(11)25(32)35-16-7-13(3)21(18(28)10-16)24(31)34-15-6-12(2)20(23(29)30)17(27)9-15/h5-10,26-28H,1-4H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C25H22O10
Molecular Weight 482.4362
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:02:15 GMT 2023
Edited
by admin
on Sat Dec 16 18:02:15 GMT 2023
Record UNII
N6HJ6CP5HM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UMBILICARIC ACID
Common Name English
BENZOIC ACID, 2-HYDROXY-4-((4-HYDROXY-2-METHOXY-6-METHYLBENZOYL)OXY)-6-METHYL-, 4-CARBOXY-3-HYDROXY-5-METHYLPHENYL ESTER
Systematic Name English
4-Carboxy-3-hydroxy-5-methylphenyl 2-hydroxy-4-[(4-hydroxy-2-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoate
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Umbilicaric acid
Created by admin on Sat Dec 16 18:02:15 GMT 2023 , Edited by admin on Sat Dec 16 18:02:15 GMT 2023
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EPA CompTox
DTXSID901110297
Created by admin on Sat Dec 16 18:02:15 GMT 2023 , Edited by admin on Sat Dec 16 18:02:15 GMT 2023
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CAS
30666-92-3
Created by admin on Sat Dec 16 18:02:15 GMT 2023 , Edited by admin on Sat Dec 16 18:02:15 GMT 2023
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FDA UNII
N6HJ6CP5HM
Created by admin on Sat Dec 16 18:02:15 GMT 2023 , Edited by admin on Sat Dec 16 18:02:15 GMT 2023
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PUBCHEM
12444590
Created by admin on Sat Dec 16 18:02:15 GMT 2023 , Edited by admin on Sat Dec 16 18:02:15 GMT 2023
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