MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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bassiatin

	Properties	Image
MNX_ID	MNXM102981
reference	chebi:65465
formula	C₁₅H₁₉NO₃
global charge	0
mol weight	261.321
InChIKey	YOKBTBNVNCFOBF-QWHCGFSZSA-N
InChI	InChI=1S/C15H19NO3/c1-10(2)13-14(17)16(3)12(15(18)19-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t12-,13+/m0/s1
SMILES	CC(C)[C@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C1=O

MNX internals

InChI (mnx)	InChI=1/C15H19NO3/c1-10(2)13-14(17)16(3)12(15(18)19-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t12-,13+/m0/s1
SMILES (mnx)	[CH3:1][CH:10]([CH3:2])[C@@H:13]1[C:14](=[O:17])[N:16]([CH3:3])[C@@H:12]([CH2:9][C:11]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)[C:15](=[O:18])[O:19]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65465 chebi:65465 YOKBTBNVNCFOBF-QWHCGFSZSA-N	bassiatin (3S,6R)-3-benzyl-4-methyl-6-(propan-2-yl)morpholine-2,5-dione (3S,6R)-3-benzyl-6-isopropyl-4-methyl-2,5-morpholinedione (3S,6R)-4-methyl-6-(1-methylethyl)-3-(phenylmethyl)-2,5-morpholinedione (3S,6R)-4-methyl-6-(1-methylethyl)-3-phenylmethyl-1,4-perhydrooxazine-2,5-dione Lateritin