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YM-47522

PropertiesImage
MNX_IDMNXM114000 Image of MNXM114000
referencechebi:66496
formulaC24H33NO4
global charge0
mol weight399.531
InChIKeyOJAGQZQYWOJBHT-PKJHRQCFSA-N
InChIInChI=1S/C24H33NO4/c1-4-11-18(2)24(19(3)21(26)14-9-6-10-15-22(25)27)29-23(28)17-16-20-12-7-5-8-13-20/h5-10,12-13,15-19,21,24,26H,4,11,14H2,1-3H3,(H2,25,27)/b9-6+,15-10-,17-16+/t18-,19-,21-,24+/m1/s1
SMILESCCC[C@@H](C)[C@H](OC(=O)/C=C/C1=CC=CC=C1)[C@H](C)[C@H](O)C/C=C/C=C\C(N)=O
MNX internals
InChI (mnx)InChI=1/C24H33NO4/c1-4-11-18(2)24(19(3)21(26)14-9-6-10-15-22(25)27)29-23(28)17-16-20-12-7-5-8-13-20/h5-10,12-13,15-19,21,24,26H,4,11,14H2,1-3H3,(H2,25,27)/b9-6+,15-10-,17-16+/t18-,19-,21-,24+/m1/s1 Image of MNXM114000
SMILES (mnx)[CH3:1][CH2:4][CH2:11][C@@H:18]([CH3:2])[C@@H:24]([C@H:19]([CH3:3])[C@@H:21]([CH2:14]/[CH:9]=[CH:6]/[CH:10]=[CH:15]\[C:22](=[NH:25])[OH:27])[OH:26])[O:29][C:23](/[CH:17]=[CH:16]/[C:20]1=[CH:12][CH:7]=[CH:5][CH:8]=[CH:13]1)=[O:28]
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
IdentifierDescription

CHEBI:66496
chebi:66496
OJAGQZQYWOJBHT-PKJHRQCFSA-N 		YM-47522
(4R,5S,6R,7R,9E,11Z)-13-amino-7-hydroxy-4,6-dimethyl-13-oxotrideca-9,11-dien-5-yl (2E)-3-phenylprop-2-enoate