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6-O-Acetylaustroinulin

PropertiesImage
MNX_IDMNXM118461 Image of MNXM118461
referencechebi:172595
formulaC22H36O4
global charge0
mol weight364.526
InChIKeyCOFSRJDBTTZNBZ-UVTDQMKNSA-N
InChIInChI=1S/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(26-15(3)23)19(24)22(16,7)25/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3/b14-10-
SMILESC=C/C(C)=C\CC1C(C)(O)C(O)C(OC(C)=O)C2C(C)(C)CCCC21C
MNX internals
InChI (mnx)InChI=1/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(26-15(3)23)19(24)22(16,7)25/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3/b14-10-/t16?,17?,18?,19?,21?,22? Image of MNXM118461
SMILES (mnx)[CH2:1]=[CH:8]/[C:14]([CH3:2])=[CH:10]\[CH2:11][CH:16]1[C:21]2([CH3:6])[CH2:13][CH2:9][CH2:12][C:20]([CH3:4])([CH3:5])[CH:18]2[CH:17]([O:26][C:15]([CH3:3])=[O:23])[CH:19]([OH:24])[C:22]1([CH3:7])[OH:25]
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:172595
chebi:172595
COFSRJDBTTZNBZ-UVTDQMKNSA-N 		6-O-Acetylaustroinulin
[2,3-dihydroxy-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
hmdb:HMDB0036803
COFSRJDBTTZNBZ-UVTDQMKNSA-N 		6-O-Acetylaustroinulin
2,3-Dihydroxy-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dien-1-yl]-decahydronaphthalen-1-yl acetic acid
2,3-dihydroxy-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dien-1-yl]-decahydronaphthalen-1-yl acetate
2,3-dihydroxy-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dien-1-yl]-hexahydro-1H-naphthalen-1-yl acetate
6a-Acetoxy-12,14-labdadiene-7b,8b-diol
Austroinulin 6-O-acetate

hmdb:HMDB36803 		secondary/obsolete/fantasy identifier