Met002536: Dahuribirin C
Metabolite Information
Name
Dahuribirin C
IUPAC Name
4-[[(2S,4R)-9'-[(3,3-dimethyloxiran-2-yl)methoxy]-4'-methoxy-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
Molecular Formula
C33H30O11
Molecular Weight
602.6
Exact Mass
602.1788118
SMILES
CC1(C(O1)COC2=C3C(=C(C4=C2OC=C4)OC)C=CC5(O3)OC(C(O5)(C)C)COC6=C7C=CC(=O)OC7=CC8=C6C=CO8)C
InChIKey
RRTKMJLCDXUEAE-CQOZMCDLSA-N
InChI
InChI=1S/C33H30O11/c1-31(2)23(41-31)15-39-30-28-20(10-13-37-28)26(35-5)19-8-11-33(43-29(19)30)42-24(32(3,4)44-33)16-38-27-17-6-7-25(34)40-22(17)14-21-18(27)9-12-36-21/h6-14,23-24H,15-16H2,1-5H3/t23?,24-,33-/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Phenylpropanoids and polyketides
Class:
Coumarins and derivatives
Subclass:
Furanocoumarins
Crops containing this metabolite
lemon
Metabolite Spectrum Accession Label