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3-O-Methylniveusin A

Properties

Image

Occurences in reactions

MNX_ID

MNXM117585

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

formula

C₂₁H₂₈O₈

charge

mass

408.17842

reference

chebi:172648

InChIKey

MEJPFLKDAHVOFR-CGEJCFONSA-N

InChI

InChI=1S/C21H28O8/c1-6-11(2)18(24)28-15-8-20(4)16(23)9-21(26-5,29-20)13(10-22)7-14-17(15)12(3)19(25)27-14/h6-7,14-17,22-23H,3,8-10H2,1-2,4-5H3/b11-6-,13-7-/t14-,15-,16+,17+,20-,21-/m1/s1

SMILES

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

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172648 chebi:172648	3-O-Methylniveusin A [(1R,2Z,4R,8R,9R,11R,12S)-12-hydroxy-2-(hydroxymethyl)-1-methoxy-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate
hmdb:HMDB0039084	3-O-Methylniveusin A (2Z)-12-Hydroxy-2-(hydroxymethyl)-1-methoxy-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-9-yl (2Z)-2-methylbut-2-enoic acid (2Z)-12-hydroxy-2-(hydroxymethyl)-1-methoxy-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-9-yl (2Z)-2-methylbut-2-enoate
hmdb:HMDB39084	secondary/obsolete/fantasy identifier