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Antibiotic X 14889A

Properties

Image

Occurences in reactions

MNX_ID

MNXM119237

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

formula

C₃₃H₆₀O₈

charge

mass

584.42882

reference

chebi:172759

InChIKey

CQTXDSXQPBLXND-UHFFFAOYSA-N

InChI

InChI=1S/C33H60O8/c1-12-25(27(36)22(8)26(35)23(9)28-18(4)15-20(6)32(37,14-3)40-28)29-19(5)16-30(11,39-29)33(38)21(7)17-31(13-2,41-33)24(10)34/h18-26,28-29,34-35,37-38H,12-17H2,1-11H3

SMILES

CCC(C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C)C1OC(C)(C2(O)OC(CC)(C(C)O)CC2C)CC1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172759 chebi:172759	Antibiotic X 14889A 7-(6-ethyl-6-hydroxy-3,5-dimethyloxan-2-yl)-3-[5-[5-ethyl-2-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-6-hydroxy-5-methyloctan-4-one
hmdb:HMDB0033336	Antibiotic X 14889A 3-{5-[5-ethyl-2-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl}-7-(6-ethyl-6-hydroxy-3,5-dimethyloxan-2-yl)-6-hydroxy-5-methyloctan-4-one X 14889a
hmdb:HMDB33336	secondary/obsolete/fantasy identifier