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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H20O11
Molecular Weight 556.4732
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Morelloflavone, (-)-

SMILES

[H][C@@]1(OC2=CC(O)=CC(O)=C2C(=O)[C@]1([H])C3=C4OC(=CC(=O)C4=C(O)C=C3O)C5=CC(O)=C(O)C=C5)C6=CC=C(O)C=C6

InChI

InChIKey=GFWPWSNIXRDQJC-LMSSTIIKSA-N
InChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H/t27-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H20O11
Molecular Weight 556.4732
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:18:03 GMT 2023
Edited
by admin
on Sat Dec 16 19:18:03 GMT 2023
Record UNII
XH2KXX2C5D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Morelloflavone, (-)-
Common Name English
(2S,3R)-2′-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)[3,8′-bi-4H-1-benzopyran]-4,4′-dione
Systematic Name English
8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Systematic Name English
[3,8′-Bi-4H-1-benzopyran]-4,4′-dione, 2′-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)-, (2S,3R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5464454
Created by admin on Sat Dec 16 19:18:03 GMT 2023 , Edited by admin on Sat Dec 16 19:18:03 GMT 2023
PRIMARY
CAS
1414943-37-5
Created by admin on Sat Dec 16 19:18:03 GMT 2023 , Edited by admin on Sat Dec 16 19:18:03 GMT 2023
PRIMARY
FDA UNII
XH2KXX2C5D
Created by admin on Sat Dec 16 19:18:03 GMT 2023 , Edited by admin on Sat Dec 16 19:18:03 GMT 2023
PRIMARY
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