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(S)-Angelicain

PropertiesImage
MNX_IDMNXM115433 Image of MNXM115433
referencechebi:174776
formulaC15H16O6
global charge0
mol weight292.287
InChIKeyFHCHSXPHLRBEBR-UHFFFAOYSA-N
InChIInChI=1S/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3
SMILESCC(C)(O)C1CC2=C(C=C3OC(CO)=CC(=O)C3=C2O)O1
MNX internals
InChI (mnx)InChI=1/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3/t12? Image of MNXM115433
SMILES (mnx)[CH3:1][C:15]([CH3:2])([CH:12]1[CH2:4][C:8]2=[C:14]([OH:18])[C:13]3=[C:11]([CH:5]=[C:10]2[O:21]1)[O:20][C:7]([CH2:6][OH:16])=[CH:3][C:9]3=[O:17])[OH:19]
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:174776
chebi:174776
FHCHSXPHLRBEBR-UHFFFAOYSA-N 		(S)-Angelicain
4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-5-one
hmdb:HMDB0030120
FHCHSXPHLRBEBR-UHFFFAOYSA-N 		(S)-Angelicain
4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2H,3H,5H-furo[3,2-g]chromen-5-one
4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2H,3H-furo[3,2-g]chromen-5-one

hmdb:HMDB30120 		secondary/obsolete/fantasy identifier