(Q104912073)

English

3,4',5,5',7-Pentahydroxy-3'-methoxy-6-(3-methyl-2-butenyl) flavanone

group of stereoisomers with the chemical formula C₂₁H₂₂O₈

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instance of

group of stereoisomers

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1 reference

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6C-substituted flavanone

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inferred from

6C-substituted flavanone

mass

402.1314676639998 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₂O₈

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canonical SMILES

O=C1C2=C(O)C(=C(O)C=C2OC(C3=CC(O)=C(O)C(OC)=C3)C1O)CC=C(C)C

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Identifiers

InChI

InChI=1S/C21H22O8/c1-9(2)4-5-11-12(22)8-14-16(17(11)24)19(26)20(27)21(29-14)10-6-13(23)18(25)15(7-10)28-3/h4,6-8,20-25,27H,5H2,1-3H3

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InChIKey

AGWPTSQHHYAHJL-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AGWPTSQHHYAHJL-UHFFFAOYSA-N

1 reference

(Q104912073)

3,4',5,5',7-Pentahydroxy-3'-methoxy-6-(3-methyl-2-butenyl) flavanone

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