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Ascochitine

Properties

Image

Occurences in reactions

MNX_ID

MNXM119391

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

formula

C₁₅H₁₆O₅

charge

mass

276.09977

reference

InChIKey

DZBCEUTUWOWUDY-ZETCQYMHSA-N

InChI

InChI=1S/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,17H,4H2,1-3H3,(H,18,19)/t7-/m0/s1

SMILES

CC[C@H](C)c1occ2c(O)c(C(=O)O)c(=O)cc-2c1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172513 chebi:172513	Ascochitine 3-[(2S)-butan-2-yl]-8-hydroxy-4-methyl-6-oxoisochromene-7-carboxylic acid
hmdb:HMDB0030145	Ascochitine 3-(Butan-2-yl)-8-hydroxy-4-methyl-6-oxo-6H-isochromene-7-carboxylate 3-(butan-2-yl)-8-hydroxy-4-methyl-6-oxo-6H-isochromene-7-carboxylic acid 8-hydroxy-4-methyl-6-oxo-3-(sec-butyl)isochromene-7-carboxylic acid Ascochytin
hmdb:HMDB30145	secondary/obsolete/fantasy identifier