PONCIRIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H34O14
Molecular Weight	594.5612
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(O2)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C3O

InChI

InChIKey=NLAWPKPYBMEWIR-SKYQDXIQSA-N

InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H34O14
Molecular Weight	594.5612
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:30:59 GMT 2025` Edited by `admin` on `Tue Apr 01 16:30:59 GMT 2025`
Record UNII	8MUY4P95B4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOSAKURANETIN-7-O-NEOHESPERIDOSIDE

Preferred Name

English

PONCIRIN

Common Name

English

(S)-7-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(4-METHOXYPHENYL)-4H-BENZOPYRAN-4-ONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00933642