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Bromovulone I

PropertiesImage
MNX_IDMNXM44795 Image of MNXM44795
referencechebi:165257
formulaC21H29BrO4
global charge0
mol weight425.363
InChIKeySEUGRXZAXYVQIH-DJKWDOPVSA-N
InChIInChI=1S/C21H29BrO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13-/t21-/m1/s1
SMILESCCCCC/C=C\C[C@@]1(O)C=C(Br)C(=O)/C1=C/C=C\CCCC(=O)OC
MNX internals
InChI (mnx)InChI=1/C21H29BrO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13-/t21-/m1/s1 Image of MNXM44795
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:9]=[CH:12]\[CH2:15][C@@:21]1([OH:25])[CH:16]=[C:18]([Br:22])[C:20](=[O:24])/[C:17]1=[CH:13]/[CH:10]=[CH:7]\[CH2:8][CH2:11][CH2:14][C:19](=[O:23])[O:26][CH3:2]
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:165257
chebi:165257
SEUGRXZAXYVQIH-DJKWDOPVSA-N 		Bromovulone I
methyl (Z,7E)-7-[(2R)-4-bromo-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate

lipidmaps:LMFA03120013
lipidmapsM:LMFA03120013
SEUGRXZAXYVQIH-DJKWDOPVSA-N 		Bromovulone I
methyl 9-oxo-10-bromo-12R-hydroxy-5Z,7E,10Z,13Z-prostatetraenoate-cyclo[8,12]