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10-Acetylpanaxytriol

PropertiesImage
MNX_IDMNXM116072 Image of MNXM116072
referencechebi:175096
formulaC19H28O4
global charge0
mol weight320.429
InChIKeyPNELZYLPPYPWTP-UHFFFAOYSA-N
InChIInChI=1S/C19H28O4/c1-4-6-7-8-12-15-19(23-16(3)20)18(22)14-11-9-10-13-17(21)5-2/h5,17-19,21-22H,2,4,6-8,12,14-15H2,1,3H3
SMILESC=CC(O)C#CC#CCC(O)C(CCCCCCC)OC(C)=O
MNX internals
InChI (mnx)InChI=1/C19H28O4/c1-4-6-7-8-12-15-19(23-16(3)20)18(22)14-11-9-10-13-17(21)5-2/h5,17-19,21-22H,2,4,6-8,12,14-15H2,1,3H3/t17?,18?,19? Image of MNXM116072
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH2:7][CH2:8][CH2:12][CH2:15][CH:19]([CH:18]([CH2:14][C:11]#[C:9][C:10]#[C:13][CH:17]([CH:5]=[CH2:2])[OH:21])[OH:22])[O:23][C:16]([CH3:3])=[O:20]
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:175096
chebi:175096
PNELZYLPPYPWTP-UHFFFAOYSA-N
10-Acetylpanaxytriol
9,15-dihydroxyheptadec-16-en-11,13-diyn-8-yl acetate
hmdb:HMDB0039821
PNELZYLPPYPWTP-UHFFFAOYSA-N
10-Acetylpanaxytriol
9,15-Dihydroxyheptadec-16-en-11,13-diyn-8-yl acetic acid
9,15-dihydroxyheptadec-16-en-11,13-diyn-8-yl acetate

hmdb:HMDB39821
secondary/obsolete/fantasy identifier