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Antibiotic X 14889D

Properties

Image

Occurences in reactions

MNX_ID

MNXM119239

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

formula

C₃₃H₅₈O₇

charge

mass

566.41825

reference

chebi:169761

InChIKey

HTVYQCLJTJPTPF-UHFFFAOYSA-N

InChI

InChI=1S/C33H58O7/c1-12-25(27(35)22(8)26(34)23(9)28-18(4)15-20(6)32(36,14-3)39-28)29-19(5)16-30(11,38-29)33-21(7)17-31(13-2,40-33)24(10)37-33/h18-26,28-29,34,36H,12-17H2,1-11H3

SMILES

CCC(C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C)C1OC(C)(C23OC(C)C(CC)(CC2C)O3)CC1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:169761 chebi:169761	Antibiotic X 14889D 3-[5-(4-ethyl-3,6-dimethyl-2,7-dioxabicyclo[2.2.1]heptan-1-yl)-3,5-dimethyloxolan-2-yl]-7-(6-ethyl-6-hydroxy-3,5-dimethyloxan-2-yl)-6-hydroxy-5-methyloctan-4-one
hmdb:HMDB0033334	Antibiotic X 14889D 3-(5-{4-ethyl-3,6-dimethyl-2,7-dioxabicyclo[2.2.1]heptan-1-yl}-3,5-dimethyloxolan-2-yl)-7-(6-ethyl-6-hydroxy-3,5-dimethyloxan-2-yl)-6-hydroxy-5-methyloctan-4-one X 14889D
hmdb:HMDB33334	secondary/obsolete/fantasy identifier