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botrydial

MNXM44634 is deprecated and here replaced by MNXM736255
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM736255

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

formula

C₁₇H₂₆O₅

charge

mass

310.17802

reference

InChIKey

SJFIYVCSGNWVPJ-GKKOWQTJSA-N

InChI

InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1

SMILES

CC(=O)O[C@H]1C[C@@H](C)[C@H](C=O)[C@@]2(O)[C@@H]1C(C)(C)C[C@]2(C)C=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3159 chebi:3159	botrydial (1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate Botrydial
kegg.compound:C09622 keggC:C09622 lipidmaps:LMPR0103640001 lipidmapsM:LMPR0103640001	Botrydial
keggC:M_C09622	secondary/obsolete/fantasy identifier