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(-)-5'-demethylyatein

PropertiesImage
MNX_IDMNXM162440 Image of MNXM162440
referencechebi:90894
formulaC21H22O7
global charge0
mol weight386.4
InChIKeyPFCOJAPJHVVASV-LSDHHAIUSA-N
InChIInChI=1S/C21H22O7/c1-24-19-9-13(7-16(22)20(19)25-2)6-15-14(10-26-21(15)23)5-12-3-4-17-18(8-12)28-11-27-17/h3-4,7-9,14-15,22H,5-6,10-11H2,1-2H3/t14-,15+/m0/s1
SMILESCOC1=CC(C[C@H]2C(=O)OC[C@@H]2CC2=CC=C3OCOC3=C2)=CC(O)=C1OC
MNX internals
InChI (mnx)InChI=1/C21H22O7/c1-24-19-9-13(7-16(22)20(19)25-2)6-15-14(10-26-21(15)23)5-12-3-4-17-18(8-12)28-11-27-17/h3-4,7-9,14-15,22H,5-6,10-11H2,1-2H3/t14-,15+/m0/s1 Image of MNXM162440
SMILES (mnx)[CH3:1][O:24][C:19]1=[CH:9][C:13]([CH2:6][C@@H:15]2[C@@H:14]([CH2:5][C:12]3=[CH:8][C:18]4=[C:17]([CH:4]=[CH:3]3)[O:27][CH2:11][O:28]4)[CH2:10][O:26][C:21]2=[O:23])=[CH:7][C:16]([OH:22])=[C:20]1[O:25][CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90894
chebi:90894
PFCOJAPJHVVASV-LSDHHAIUSA-N 		(-)-5'-demethylyatein
(-)-3-desmethylyatein
(-)-5'-desmethylyatein
(R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one
3-demethylyatein

kegg.compound:C21184
keggC:C21184
PFCOJAPJHVVASV-LSDHHAIUSA-N 		(-)-5'-Demethylyatein
(3R,4R)-4-(2H-1,3-Benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one

metacyc.compound:CPD-18755
metacycM:CPD-18755
seed.compound:cpd32120
seedM:cpd32120
PFCOJAPJHVVASV-LSDHHAIUSA-N 		(-)-5'-demethylyatein
(3R,4R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one

keggC:M_C21184
seedM:M_cpd32120 		secondary/obsolete/fantasy identifier