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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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lespeflorin C3
Properties
Image
Occurences in reactions
MNX_ID
MNXM106131
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
21
H
24
O
5
charge
0
mass
356.16237
reference
chebi:66564
InChIKey
XTDORSAGLFPXGX-IBGZPJMESA-N
InChI
InChI=1S/C21H24O5/c1-13(2)4-7-15-11-17(20(26-3)12-18(15)23)21(25)19(24)10-14-5-8-16(22)9-6-14/h4-6,8-9,11-12,19,22-24H,7,10H2,1-3H3/t19-/m0/s1
SMILES
COc1cc(O)c(CC=C(C)C)cc1C(=O)[C@@H](O)Cc1ccc(O)cc1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:66564
chebi:66564
lespeflorin C3
(2S)-2-hydroxy-1-[4-hydroxy-2-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)propan-1-one