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6''-O-Acetylholocalin

PropertiesImage
MNX_IDMNXM118322 Image of MNXM118322
referencechebi:183025
formulaC16H19NO8
global charge0
mol weight353.327
InChIKeyNIVXKMKLZUXGSY-UHFFFAOYSA-N
InChIInChI=1S/C16H19NO8/c1-8(18)23-7-12-13(20)14(21)15(22)16(25-12)24-11(6-17)9-3-2-4-10(19)5-9/h2-5,11-16,19-22H,7H2,1H3
SMILESCC(=O)OCC1OC(OC(C#N)C2=CC(O)=CC=C2)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C16H19NO8/c1-8(18)23-7-12-13(20)14(21)15(22)16(25-12)24-11(6-17)9-3-2-4-10(19)5-9/h2-5,11-16,19-22H,7H2,1H3/t11?,12?,13?,14?,15?,16? Image of MNXM118322
SMILES (mnx)[CH3:1][C:8](=[O:18])[O:23][CH2:7][CH:12]1[CH:13]([OH:20])[CH:14]([OH:21])[CH:15]([OH:22])[CH:16]([O:24][CH:11]([C:6]#[N:17])[C:9]2=[CH:5][C:10]([OH:19])=[CH:4][CH:2]=[CH:3]2)[O:25]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:183025
chebi:183025
NIVXKMKLZUXGSY-UHFFFAOYSA-N 		6''-O-Acetylholocalin
[6-[cyano-(3-hydroxyphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
hmdb:HMDB0036331
NIVXKMKLZUXGSY-UHFFFAOYSA-N 		6''-O-Acetylholocalin
{6-[cyano(3-hydroxyphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate
{6-[cyano(3-hydroxyphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetic acid

hmdb:HMDB36331 		secondary/obsolete/fantasy identifier