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Samidin

PropertiesImage
MNX_IDMNXM81458 Image of MNXM81458
referencechebi:9019
formulaC21H22O7
global charge0
mol weight386.4
InChIKeyFNVCLGWRMXTDSM-WOJBJXKFSA-N
InChIInChI=1S/C21H22O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1
SMILESCC(=O)O[C@@H]1C2=C(C=CC3=C2OC(=O)C=C3)OC(C)(C)[C@@H]1OC(=O)C=C(C)C
MNX internals
InChI (mnx)InChI=1/C21H22O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1 Image of MNXM81458
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:10][C:16](=[O:24])[O:27][C@@H:20]1[C@H:19]([O:25][C:12]([CH3:3])=[O:22])[C:17]2=[C:14]([CH:8]=[CH:6][C:13]3=[C:18]2[O:26][C:15](=[O:23])[CH:9]=[CH:7]3)[O:28][C:21]1([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd06205
seedM:cpd06205
CHEBI:9019
chebi:9019
kegg.compound:C09310
keggC:C09310
FNVCLGWRMXTDSM-WOJBJXKFSA-N 		Samidin

CHEBI:182314
chebi:182314
FNVCLGWRMXTDSM-UHFFFAOYSA-N 		(10-Acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 3-methylbut-2-enoate
(10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-]chromen-9-yl) 3-methylbut-2-enoate

keggC:M_C09310
seedM:M_cpd06205 		secondary/obsolete/fantasy identifier