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1alpha-hydroxymedicarpin

PropertiesImage
MNX_IDMNXM148610 Image of MNXM148610
referencemetacycM:CPD-17458
formulaC16H14O5
global charge0
mol weight286.283
InChIKeyADSQTWKKQGAOFT-PNMZXMJCSA-N
InChIInChI=1S/C16H14O5/c1-19-10-2-3-11-12-8-20-14-6-9(17)4-5-16(14,18)15(12)21-13(11)7-10/h2-7,12,15,18H,8H2,1H3/t12-,15+,16?/m0/s1
SMILESCOC1=CC2=C(C=C1)[C@@H]1COC3=CC(=O)C=CC3(O)[C@@H]1O2
MNX internals
InChI (mnx)InChI=1/C16H14O5/c1-19-10-2-3-11-12-8-20-14-6-9(17)4-5-16(14,18)15(12)21-13(11)7-10/h2-7,12,15,18H,8H2,1H3/t12-,15+,16?/m0/s1 Image of MNXM148610
SMILES (mnx)[CH3:1][O:19][C:10]1=[CH:7][C:13]2=[C:11]([CH:3]=[CH:2]1)[C@@H:12]1[CH2:8][O:20][C:14]3=[CH:6][C:9](=[O:17])[CH:4]=[CH:5][C:16]3([OH:18])[C@@H:15]1[O:21]2
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

metacyc.compound:CPD-17458
metacycM:CPD-17458
ADSQTWKKQGAOFT-PNMZXMJCSA-N
1alpha-hydroxymedicarpin

seed.compound:cpd33191
seedM:cpd33191
ADSQTWKKQGAOFT-PNMZXMJCSA-N
1alpha-hydroxy-medicarpin

seedM:M_cpd33191
secondary/obsolete/fantasy identifier