7-O-(6-p-coumaroylglucosyl)chrysoeriol (Q27145360)

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-D-glucopyranoside (English)

8 October 2016

chemical formula

C₃₁H₂₈O₁₃

0 references

canonical SMILES

COC=1C=C(C=CC1O)C2=CC(C3=C(C=C(C=C3O2)OC4(C(C(C(C(COC(C=CC5=CC=C(C=C5)O)=O)(O4)[H])(O)[H])(O)[H])(O)[H])[H])O)=O

1 reference

7-O-(6-p-coumaroylglucosyl)chrysoeriol (English)

8 October 2016

isomeric SMILES

COC=1C=C(C=CC1O)C2=CC(C3=C(C=C(C=C3O2)OC4([C@@]([C@]([C@@]([C@@](COC(C=CC5=CC=C(C=C5)O)=O)(O4)[H])(O)[H])(O)[H])(O)[H])[H])O)=O

1 reference

7-O-(6-p-coumaroylglucosyl)chrysoeriol (English)

InChI=1S/C31H28O13/c1-40-23-10-16(5-8-19(23)33)22-13-21(35)27-20(34)11-18(12-24(27)43-22)42-31-30(39)29(38)28(37)25(44-31)14-41-26(36)9-4-15-2-6-17(32)7-3-15/h2-13,25,28-34,37-39H,14H2,1H3/t25-,28-,29+,30-,31?/m1/s1

8 October 2016

Identifiers

InChI

1 reference

7-O-(6-p-coumaroylglucosyl)chrysoeriol (English)

UYBZJEQWERUTFO-MVRMALISSA-N

8 October 2016

InChIKey

2 references

7-O-(6-p-coumaroylglucosyl)chrysoeriol (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-D-glucopyranoside (English)

8 October 2016

2 references

26 December 2021

InChIKey

UYBZJEQWERUTFO-MVRMALISSA-N

ChEBI ID

75509

mapping relation type

2 references

7-O-(6-p-coumaroylglucosyl)chrysoeriol (English)