U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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-PXJZQJOASA-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+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H20O11
Molecular Weight 556.4732
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
AX3GA2TK7M
Record Status Validated (UNII)
Record Version