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(-)-Medicocarpin

PropertiesImage
MNX_IDMNXM2883 Image of MNXM2883
referencechebi:80390
formulaC22H24O9
global charge0
mol weight432.425
InChIKeyPVEMGMOWXQUWRD-NJAOXFEXSA-N
InChIInChI=1S/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3/t14-,17+,18+,19-,20+,21-,22+/m0/s1
SMILESCOC1=CC2=C(C=C1)[C@@H]1COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3[C@@H]1O2
MNX internals
InChI (mnx)InChI=1/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3/t14-,17+,18+,19-,20+,21-,22+/m0/s1 Image of MNXM2883
SMILES (mnx)[CH3:1][O:27][C:10]1=[CH:6][C:16]2=[C:12]([CH:4]=[CH:2]1)[C@@H:14]1[CH2:9][O:28][C:15]3=[CH:7][C:11]([O:29][C@H:22]4[C@H:20]([OH:26])[C@@H:19]([OH:25])[C@H:18]([OH:24])[C@@H:17]([CH2:8][OH:23])[O:31]4)=[CH:3][CH:5]=[C:13]3[C@@H:21]1[O:30]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80390
chebi:80390
kegg.compound:C16223
keggC:C16223
PVEMGMOWXQUWRD-NJAOXFEXSA-N 		(-)-Medicocarpin
Medicarpin 3-O-glucoside

seed.compound:cpd14942
seedM:cpd14942
PVEMGMOWXQUWRD-NJAOXFEXSA-N 		(-)-Medicocarpin
(-)-medicarpin-3-O-glucoside
Medicarpin 3-O-glucoside

metacyc.compound:CPD-4122
metacycM:CPD-4122
PVEMGMOWXQUWRD-NJAOXFEXSA-N 		(-)-medicarpin-3-O-glucoside
hmdb:HMDB0303948
PVEMGMOWXQUWRD-NJAOXFEXSA-N 		(-)-medicarpin-3-O-glucoside
(-)-medicocarpin
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(1R,10R)-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl]oxy}oxane-3,4,5-triol
Medicarpin 3-O-glucoside

keggC:M_C16223
seedM:M_cpd14942 		secondary/obsolete/fantasy identifier