aspulvinone H(1-) (Q27125122)

(2Z)-2-[4-Hydroxy-3-(3-methyl-2-buten-1-yl)benzylidene]-4-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-5-oxo-2,5-dihydro-3-furanolate (English)

6 October 2016

chemical formula

C₂₇H₂₇O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)=CCC=1C=C(C=CC1[O-])C(=C2C(=C(C3=CC=C(C(CC=C(C)C)=C3)O)C(=O)O2)O)[H]

1 reference

aspulvinone H(1-) (English)

6 October 2016

isomeric SMILES

CC(C)=CCC=1C=C(C=CC1[O-])\C(=C/2\C(=C(C3=CC=C(C(CC=C(C)C)=C3)O)C(=O)O2)O)\[H]

1 reference

aspulvinone H(1-) (English)

InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3/p-1/b24-14-

6 October 2016

Identifiers

InChI

1 reference

aspulvinone H(1-) (English)

LFDYHAWYVIBCDT-OYKKKHCWSA-M

6 October 2016

InChIKey

2 references

aspulvinone H(1-) (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

(2Z)-2-[4-Hydroxy-3-(3-methyl-2-buten-1-yl)benzylidene]-4-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-5-oxo-2,5-dihydro-3-furanolate (English)

6 October 2016

2 references

26 December 2021

InChIKey

LFDYHAWYVIBCDT-OYKKKHCWSA-M

ChEBI ID

58013

mapping relation type

2 references

aspulvinone H(1-) (English)