5-[(3-formyl-2-hydroxy-4-methoxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-3,6-dimethylbenzoic acid (Q27164429)

SPBio_000926 (English)

9 October 2016

chemical formula

C₁₉H₁₈O₈

1 reference

SPBio_000926 (English)

9 October 2016

canonical SMILES

CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)O)C(=O)O)C)O)C=O)OC

1 reference

SPBio_000926 (English)

InChI=1S/C19H18O8/c1-8-5-13(26-4)11(7-20)17(22)14(8)19(25)27-12-6-9(2)16(21)15(10(12)3)18(23)24/h5-7,21-22H,1-4H3,(H,23,24)

9 October 2016

Identifiers

InChI

1 reference

SPBio_000926 (English)

IGTAVCGEZLIHKG-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

SPBio_000926 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-[(3-Formyl-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-hydroxy-2,5-dimethylbenzoic acid (English)

9 October 2016

1 reference

SPBio_000926 (English)

9 October 2016

ChEBI ID

92718

mapping relation type

2 references

5-[(3-formyl-2-hydroxy-4-methoxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-3,6-dimethylbenzoic acid (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H18O8/c1-8-5-13(26-4)11(7-20)17(22)14(8)19(25)27-12-6-9(2)16(21)15(10(12)3)18(23)24/h5-7,21-22H,1-4H3,(H,23,24)

1 reference