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4,5-Dihydroniveusin A

Properties

Image

Occurences in reactions

MNX_ID

MNXM117748

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

formula

C₂₀H₂₈O₈

charge

mass

396.17842

reference

chebi:175970

InChIKey

SNUZCOSRHAIVKC-KABXGVFYSA-N

InChI

InChI=1S/C20H28O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h5,12-16,21-22,25H,3,6-9H2,1-2,4H3/b10-5-/t12?,13-,14-,15+,16-,19-,20-/m1/s1

SMILES

C=C1C(=O)O[C@@H]2CC(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@H]12)O3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175970 chebi:175970	4,5-Dihydroniveusin A [(1R,4R,8R,9R,11R,12S)-1,12-dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] (Z)-2-methylbut-2-enoate
hmdb:HMDB0032844	4,5-Dihydroniveusin A 1,12-Dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-9-yl (2Z)-2-methylbut-2-enoic acid 1,12-dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-9-yl (2Z)-2-methylbut-2-enoate
hmdb:HMDB32844	secondary/obsolete/fantasy identifier