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sarpagine

PropertiesImage
MNX_IDMNXM735630 Image of MNXM735630
referencemetacycM:CPD-4243
formulaC19H22N2O2
global charge0
mol weight310.397
InChIKeyVTVQHYQGTTVKDE-QDHOPYFXSA-N
InChIInChI=1S/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12-,15-,17+,18+/m1/s1
SMILESC/C=C1/CN2C3CC4=C(NC5=CC=C(O)C=C54)[C@@H]2C[C@H]1[C@H]3CO
MNX internals
InChI (mnx)InChI=1/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12-,15-,17+,18+/m1/s1 Image of MNXM735630
SMILES (mnx)[CH3:1]/[CH:2]=[C:10]1/[CH2:8][N:21]2[C@H:17]3[CH2:7][C:14]4=[C:19]([C@@H:18]2[CH2:6][C@H:12]1[C@H:15]3[CH2:9][OH:22])[NH:20][C:16]1=[CH:4][CH:3]=[C:11]([OH:23])[CH:5]=[C:13]41
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

metacyc.compound:CPD-4243
metacycM:CPD-4243
VTVQHYQGTTVKDE-QDHOPYFXSA-N 		sarpagine

seed.compound:cpd06134
seedM:cpd06134
VTVQHYQGTTVKDE-QDHOPYFXSA-N 		Sarpagine
sarpagine

seedM:M_cpd06134 		secondary/obsolete/fantasy identifier