(Q105158380)

English

(E)-3-[4-[alpha-(Hydroxymethyl)-4,beta-dihydroxy-3-methoxyphenethyloxy]-3-methoxyphenyl]acrylaldehyde

group of stereoisomers with the chemical formula C₂₀H₂₂O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

374.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂O₇

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canonical SMILES

O=CC=CC1=CC=C(OC(CO)C(O)C2=CC=C(O)C(OC)=C2)C(OC)=C1

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isomeric SMILES

COc1cc(C(O)C(CO)Oc2ccc(/C=C/C=O)cc2OC)ccc1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C20H22O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h3-11,19-20,22-24H,12H2,1-2H3/b4-3+

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InChIKey

LWLOALZBDOVWAE-ONEGZZNKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LWLOALZBDOVWAE-ONEGZZNKSA-N

ChEBI ID

183516

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H22O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h3-11,19-20,22-24H,12H2,1-2H3/b4-3+

1 reference

(Q105158380)

(E)-3-[4-[alpha-(Hydroxymethyl)-4,beta-dihydroxy-3-methoxyphenethyloxy]-3-methoxyphenyl]acrylaldehyde

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