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(-)-Arctigenin

PropertiesImage
MNX_IDMNXM42530 Image of MNXM42530
referencechebi:79
formulaC21H24O6
global charge0
mol weight372.417
InChIKeyNQWVSMVXKMHKTF-JKSUJKDBSA-N
InChIInChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
SMILESCOC1=CC(C[C@H]2C(=O)OC[C@@H]2CC2=CC=C(OC)C(OC)=C2)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 Image of MNXM42530
SMILES (mnx)[CH3:1][O:24][C:18]1=[C:20]([O:26][CH3:3])[CH:11]=[C:13]([CH2:8][C@H:15]2[CH2:12][O:27][C:21](=[O:23])[C@@H:16]2[CH2:9][C:14]2=[CH:10][C:19]([O:25][CH3:2])=[C:17]([OH:22])[CH:6]=[CH:4]2)[CH:5]=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:79
chebi:79
NQWVSMVXKMHKTF-JKSUJKDBSA-N 		(-)-Arctigenin
hmdb:HMDB0030087
NQWVSMVXKMHKTF-JKSUJKDBSA-N 		(-)-Arctigenin
(-)-arctigenin
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
4-[(3,4-Dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-(3R,4R)-2(3H)-furanone
4-[(3,4-Dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-(3R-trans)-2(3H)-furanone
Arctigenin

seed.compound:cpd07431
seedM:cpd07431
NQWVSMVXKMHKTF-JKSUJKDBSA-N 		(-)-Arctigenin
(-)-arctigenin
Arctigenin
arctigenin

kegg.compound:C10545
keggC:C10545
NQWVSMVXKMHKTF-JKSUJKDBSA-N 		Arctigenin
(-)-Arctigenin

metacyc.compound:CPD-17600
metacycM:CPD-17600
NQWVSMVXKMHKTF-JKSUJKDBSA-N 		arctigenin
(-)-arctigenin

hmdb:HMDB30087
keggC:M_C10545
seedM:M_cpd07431 		secondary/obsolete/fantasy identifier