(Q105376419)

English

[(2R,3S,4R,5R,6S)-6-[3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

isoflavonoid

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[6-[3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

490.111126144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₂O₁₂

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canonical SMILES

O=C(OCC1OC(C2=C(O)C=C3OC=C(C(=O)C3=C2O)C=4C=CC(O)=C(O)C4)C(O)C(O)C1O)C

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isomeric SMILES

CC(=O)OC[C@H]1O[C@@H](c2c(O)cc3occ(-c4ccc(O)c(O)c4)c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Dalbergia monetaria

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stated in

Inhaltsstoffe der Rinde vonDalbergia monetaria L. Drei neue Isoflavon-C-glucoside

Dalbergia ovalis

1 reference

stated in

Inhaltsstoffe der Rinde vonDalbergia monetaria L. Drei neue Isoflavon-C-glucoside

Identifiers

InChI

InChI=1S/C23H22O12/c1-8(24)33-7-15-19(29)21(31)22(32)23(35-15)16-13(27)5-14-17(20(16)30)18(28)10(6-34-14)9-2-3-11(25)12(26)4-9/h2-6,15,19,21-23,25-27,29-32H,7H2,1H3/t15-,19-,21+,22-,23+/m1/s1

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InChIKey

ZIKWNNIZDCRJGO-IBUWVLCJSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

ZIKWNNIZDCRJGO-IBUWVLCJSA-N

(Q105376419)

[(2R,3S,4R,5R,6S)-6-[3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Statements

Identifiers

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