(Q106039718)

English

8-C-glucopyranosyl-6-C-xylopyranosylapigenin

chemical compound

(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-2-O-beta-D-glucopyranosyl-L-arabinitol

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Statements

instance of

type of chemical entity

0 references

subclass of

6,8C-substituted flavone

1 reference

based on heuristic

inferred from SMILES

mass

564.1479055759999 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

1 reference

based on heuristic

inferred from InChI

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

1 reference

based on heuristic

inferred from InChI

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

1 reference

1 reference

1 reference

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

1 reference

based on heuristic

inferred from InChI

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₈O₁₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(C3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13?,17+,18-,21+,22-,23-,25?,26?/m1/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

OVMFOVNOXASTPA-UQYQOIANSA-N

1 reference

stated in

ChEBI release 2021-03-01

PubChem CID

137333859

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

InChIKey

OVMFOVNOXASTPA-UQYQOIANSA-N

ChEBI ID

142913

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13?,17+,18-,21+,22-,23-,25?,26?/m1/s1

1 reference

(Q106039718)

8-C-glucopyranosyl-6-C-xylopyranosylapigenin

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