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prefusarin

PropertiesImage
MNX_IDMNXM148466 Image of MNXM148466
referencemetacycM:CPD-18058
formulaC22H29NO3
global charge0
mol weight355.478
InChIKeyWLLPAVXJVZPQLM-JMMAOSCDSA-N
InChIInChI=1S/C22H29NO3/c1-6-15(2)12-17(4)13-16(3)8-7-9-18(5)21(25)20-14-19(10-11-24)23-22(20)26/h6-9,12-14,19,24H,10-11H2,1-5H3,(H,23,26)/b8-7+,15-6-,16-13+,17-12+,18-9+
SMILESC/C=C(C)\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)C1=CC(CCO)NC1=O
MNX internals
InChI (mnx)InChI=1/C22H29NO3/c1-6-15(2)12-17(4)13-16(3)8-7-9-18(5)21(25)20-14-19(10-11-24)23-22(20)26/h6-9,12-14,19,24H,10-11H2,1-5H3,(H,23,26)/b8-7+,15-6-,16-13+,17-12+,18-9+/t19? Image of MNXM148466
SMILES (mnx)[CH3:1]/[CH:6]=[C:15]([CH3:2])\[CH:12]=[C:17]([CH3:4])\[CH:13]=[C:16]([CH3:3])\[CH:8]=[CH:7]\[CH:9]=[C:18](/[CH3:5])[C:21]([C:20]1=[CH:14][CH:19]([CH2:10][CH2:11][OH:24])[N:23]=[C:22]1[OH:26])=[O:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18058
metacycM:CPD-18058
seed.compound:cpd34248
seedM:cpd34248
WLLPAVXJVZPQLM-JMMAOSCDSA-N 		prefusarin

seedM:M_cpd34248 		secondary/obsolete/fantasy identifier