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aurachin C epoxide

PropertiesImage
MNX_IDMNXM148095 Image of MNXM148095
referencechebi:90889
formulaC25H33NO3
global charge0
mol weight395.543
InChIKeyFORHHPRBEFTLRM-YEFHWUCQSA-N
InChIInChI=1S/C25H33NO3/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-25-23(27)21-14-6-7-15-22(21)26(28)24(25,5)29-25/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC12OC1(C)N(O)C1=C(C=CC=C1)C2=O
MNX internals
InChI (mnx)InChI=1/C25H33NO3/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-25-23(27)21-14-6-7-15-22(21)26(28)24(25,5)29-25/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+/t24?,25? Image of MNXM148095
SMILES (mnx)[CH3:1][C:18]([CH3:2])=[CH:10][CH2:8][CH2:11]/[C:19]([CH3:3])=[CH:12]/[CH2:9][CH2:13]/[C:20]([CH3:4])=[CH:16]/[CH2:17][C:25]12[C:23](=[O:27])[C:21]3=[CH:14][CH:6]=[CH:7][CH:15]=[C:22]3[N:26]([OH:28])[C:24]1([CH3:5])[O:29]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90889
chebi:90889
FORHHPRBEFTLRM-YEFHWUCQSA-N 		aurachin C epoxide
2-hydroxy-1a-methyl-7a-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1a,7a-dihydrooxireno[b]quinolin-7(2H)-one
aurachin C 2,3-epoxide
aurachin-C 2,3-epoxide
aurachin-C epoxide

seed.compound:cpd32821
seedM:cpd32821
FORHHPRBEFTLRM-YEFHWUCQSA-N 		2-hydroxy-1a-methyl-7a-[(2E,6E)-farnesyl]-1a,2-dihydrooxireno[2,3-b]quinolin-7(7aH)-one
aurachin C epoxide

kegg.compound:C21331
keggC:C21331
FORHHPRBEFTLRM-YEFHWUCQSA-N 		Aurachin C epoxide
2-Hydroxy-1a-methyl-7a-[(2E,6E)-farnesyl]-1a,2-dihydrooxireno[2,3-b]quinolin-7(7aH)-one

metacyc.compound:CPD-15913
metacycM:CPD-15913
FORHHPRBEFTLRM-YEFHWUCQSA-N 		aurachin C epoxide
2-hydroxy-1a-methyl-7a-[(2E,6E)-farnesyl]-1a,2-dihydrooxireno[2,3-b]quinolin-7(7aH)-one

keggC:M_C21331
seedM:M_cpd32821 		secondary/obsolete/fantasy identifier