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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H40O20
Molecular Weight 756.6587
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANTHOCYANIN A1

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C([O-])C=C4O)[O+]=C3C5=CC(O)=C(O)C=C5)[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=LSIHLVAATDSBMQ-LRIWEGBYSA-N
InChI=1S/C33H40O20/c1-10-21(39)24(42)26(44)31(48-10)47-9-20-23(41)30(53-32-27(45)25(43)22(40)19(8-34)51-32)28(46)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/t10-,19+,20+,21-,22+,23+,24+,25-,26+,27+,28+,30-,31+,32-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H40O20
Molecular Weight 756.6587
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:03:16 UTC 2023
Edited
by admin
on Sat Dec 16 09:03:16 UTC 2023
Record UNII
I33S1C86LS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANTHOCYANIN A1
Common Name English
1-BENZOPYRYLIUM, 3-((O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->6)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
24882530
Created by admin on Sat Dec 16 09:03:16 UTC 2023 , Edited by admin on Sat Dec 16 09:03:16 UTC 2023
PRIMARY
FDA UNII
I33S1C86LS
Created by admin on Sat Dec 16 09:03:16 UTC 2023 , Edited by admin on Sat Dec 16 09:03:16 UTC 2023
PRIMARY
CAS
1037068-20-4
Created by admin on Sat Dec 16 09:03:16 UTC 2023 , Edited by admin on Sat Dec 16 09:03:16 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Oxygen radical absorbance capacity (ORAC) assays proved high antioxidant activity.