XANTHORHAMNIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H42O20
Molecular Weight	770.6853
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(O)=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)=C(OC2=C1)C6=CC(O)=C(O)C=C6

InChI

InChIKey=NMGVHLDIHNFGQB-OTCPXFHUSA-N

InChI=1S/C34H42O20/c1-10-20(38)24(42)26(44)33(50-10)53-30-21(39)11(2)49-32(28(30)46)48-9-18-22(40)25(43)27(45)34(52-18)54-31-23(41)19-16(37)7-13(47-3)8-17(19)51-29(31)12-4-5-14(35)15(36)6-12/h4-8,10-11,18,20-22,24-28,30,32-40,42-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22-,24+,25-,26+,27+,28+,30+,32+,33-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H42O20
Molecular Weight	770.6853
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 11:43:40 GMT 2023` Edited by `admin` on `Sat Dec 16 11:43:40 GMT 2023`
Record UNII	E9P3Y54GDF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

XANTHORHAMNIN

Common Name

English

4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-β-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-

Systematic Name

English

NSC-19804

Code

English

Code System Code Type Description

FDA UNII

E9P3Y54GDF