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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O14
Molecular Weight 578.5187
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISORHOIFOLIN

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)C=C(OC4=C3)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=FKIYLTVJPDLUDL-SLNHTJRHSA-N
InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H30O14
Molecular Weight 578.5187
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 Thu Jul 06 13:56:29 UTC 2023
Edited
by admin
on Thu Jul 06 13:56:29 UTC 2023
Record UNII
0B66T65281
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISORHOIFOLIN
Common Name English
APIGENIN 7-O-.ALPHA.-L-RHAMNOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
APIGENIN 7-O-.BETA.-D-GLUCOPYRANOSYL-(6->1)-.ALPHA.-L-RHAMNOPYRANOSIDE
Systematic Name English
5,7,4'-TRIHYDROXYFLAVONE 7-O-RUTINOSIDE
Systematic Name English
FLAVONE, 4',5,7-TRIHYDROXY-, 7-.BETA.-RUTINOSIDE
Systematic Name English
APIGENIN 7-.BETA.-RUTINOSIDE
Systematic Name English
APIGENIN-7-O-.BETA.-D-RUTINOSIDE
Systematic Name English
APIGENIN 7-O-RUTINOSIDE
Systematic Name English
APIGENIN 7-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
APIGENIN-7-O-GLUCO(6'-1''') RHAMNOSIDE
Systematic Name English
7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
APIGENIN 7-RUTINOSIDE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9851181
Created by admin on Thu Jul 06 13:56:29 UTC 2023 , Edited by admin on Thu Jul 06 13:56:29 UTC 2023
PRIMARY
ECHA (EC/EINECS)
209-015-9
Created by admin on Thu Jul 06 13:56:29 UTC 2023 , Edited by admin on Thu Jul 06 13:56:29 UTC 2023
PRIMARY
FDA UNII
0B66T65281
Created by admin on Thu Jul 06 13:56:29 UTC 2023 , Edited by admin on Thu Jul 06 13:56:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID50970527
Created by admin on Thu Jul 06 13:56:29 UTC 2023 , Edited by admin on Thu Jul 06 13:56:29 UTC 2023
PRIMARY
CAS
36790-49-5
Created by admin on Thu Jul 06 13:56:29 UTC 2023 , Edited by admin on Thu Jul 06 13:56:29 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
552-57-8
Created by admin on Thu Jul 06 13:56:29 UTC 2023 , Edited by admin on Thu Jul 06 13:56:29 UTC 2023
PRIMARY
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