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Schleicherastatin 5

Properties

Image

Occurences in reactions

MNX_ID

MNXM130542

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

formula

C₂₉H₄₈O₃

charge

mass

444.36035

reference

chebi:169002

InChIKey

XWLHFTUCQDCSTJ-PNGDTKJZSA-N

InChI

InChI=1S/C29H48O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-25,27,30-31H,7-15H2,1-6H3/t18-,19+,21-,22+,23-,24-,25+,27-,28-,29+/m0/s1

SMILES

CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:169002 chebi:169002	Schleicherastatin 5 (3S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
hmdb:HMDB0035804	Schleicherastatin 5 14-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-9-one 3,22-Dihydroxystigmast-5-en-7-one
hmdb:HMDB35804	secondary/obsolete/fantasy identifier