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8-Propanoylneosolaniol

Properties

Image

Occurences in reactions

MNX_ID

MNXM118665

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

formula

C₂₂H₃₀O₉

charge

mass

438.18898

reference

hmdb:HMDB0038562

InChIKey

ZSGWJLBSFZRJAT-MLXHEQMXSA-N

InChI

InChI=1S/C22H30O9/c1-6-16(25)30-14-8-21(9-27-12(3)23)15(7-11(14)2)31-19-17(26)18(29-13(4)24)20(21,5)22(19)10-28-22/h7,14-15,17-19,26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1

SMILES

CCC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0038562	8-Propanoylneosolaniol (1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl propanoate (1's,2S,2'r,4's,7'r,9'r,10'r,11's)-11'-(Acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl propanoic acid 1-(3-Hydroxy-4-methoxybenzyl)-6,7-dimethoxyisoquinoline 3'-Hydroxypapaverine
seed.compound:cpd33782 seedM:cpd33782	8-Propionyl-neosolaniol 8-propionylneosolaniol P-NEO
metacyc.compound:CPD-18506 metacycM:CPD-18506	8-propionylneosolaniol 8-Propionyl-neosolaniol P-NEO
hmdb:HMDB38562 seedM:M_cpd33782	secondary/obsolete/fantasy identifier