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6-O-Acetylaustroinulin

Properties

Image

Occurences in reactions

MNX_ID

MNXM118461

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₂H₃₆O₄

charge

mass

364.26136

reference

InChIKey

COFSRJDBTTZNBZ-UVTDQMKNSA-N

InChI

InChI=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-

SMILES

C=C/C(C)=C\CC1C(C)(O)C(O)C(OC(C)=O)C2C(C)(C)CCCC21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172595 chebi:172595	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	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