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decursinol

PropertiesImage
MNX_IDMNXM48880 Image of MNXM48880
referencechebi:4354
formulaC14H14O4
global charge0
mol weight246.262
InChIKeyBGXFQDFSVDZUIW-LBPRGKRZSA-N
InChIInChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1
SMILESCC1(C)OC2=C(C=C3C=CC(=O)OC3=C2)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1 Image of MNXM48880
SMILES (mnx)[CH3:1][C:14]1([CH3:2])[C@@H:12]([OH:15])[CH2:6][C:9]2=[C:11]([CH:7]=[C:10]3[C:8](=[CH:5]2)[CH:3]=[CH:4][C:13](=[O:16])[O:17]3)[O:18]1
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

CHEBI:4354
chebi:4354
BGXFQDFSVDZUIW-LBPRGKRZSA-N 		decursinol
(+)-decursinol
(7S)-7-hydroxy-8,8-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one
(S)-(+)-decursinol
Decursinol
hmdb:HMDB0033914
BGXFQDFSVDZUIW-UHFFFAOYSA-N 		Aegelinol
12-hydroxy-13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,6,8-tetraen-5-one

CHEBI:167957
chebi:167957
BGXFQDFSVDZUIW-UHFFFAOYSA-N 		Aegelinol
3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one

seed.compound:cpd06154
seedM:cpd06154
kegg.compound:C09259
keggC:C09259
BGXFQDFSVDZUIW-LBPRGKRZSA-N 		Decursinol

hmdb:HMDB33914
chebi:65731
keggC:M_C09259
seedM:M_cpd06154 		secondary/obsolete/fantasy identifier