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Holyrine A

PropertiesImage
MNX_IDMNXM11826 Image of MNXM11826
referencechebi:176941
formulaC26H24N4O3
global charge0
mol weight440.503
InChIKeyQNQXRLNOOGRQEB-FUJFFIKUSA-N
InChIInChI=1S/C26H24N4O3/c1-12-25(31)16(27)10-19(33-12)30-18-9-5-3-7-14(18)21-22-15(11-28-26(22)32)20-13-6-2-4-8-17(13)29-23(20)24(21)30/h2-9,12,16,19,25,29,31H,10-11,27H2,1H3,(H,28,32)/t12-,16+,19+,25-/m0/s1
SMILESC[C@@H]1O[C@@H](N2C3=C(C=CC=C3)C3=C4C(=O)NCC4=C4C5=C(C=CC=C5)NC4=C32)C[C@@H](N)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C26H24N4O3/c1-12-25(31)16(27)10-19(33-12)30-18-9-5-3-7-14(18)21-22-15(11-28-26(22)32)20-13-6-2-4-8-17(13)29-23(20)24(21)30/h2-9,12,16,19,25,29,31H,10-11,27H2,1H3,(H,28,32)/t12-,16+,19+,25-/m0/s1 Image of MNXM11826
SMILES (mnx)[CH3:1][C@H:12]1[C@H:25]([OH:31])[C@H:16]([NH2:27])[CH2:10][C@H:19]([N:30]2[C:18]3=[CH:9][CH:5]=[CH:3][CH:7]=[C:14]3[C:21]3=[C:22]4[C:15](=[C:20]5[C:13]6=[CH:6][CH:2]=[CH:4][CH:8]=[C:17]6[NH:29][C:23]5=[C:24]32)[CH2:11][N:28]=[C:26]4[OH:32])[O:33]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176941
chebi:176941
QNQXRLNOOGRQEB-FUJFFIKUSA-N 		Holyrine A
3-[(2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one

kegg.compound:C21127
keggC:C21127
QNQXRLNOOGRQEB-FUJFFIKUSA-N 		Holyrine A

metacyc.compound:CPD-11906
metacycM:CPD-11906
seed.compound:cpd23138
seedM:cpd23138
QNQXRLNOOGRQEB-FUJFFIKUSA-O 		holyrine A

keggC:M_C21127
seedM:M_cpd23138 		secondary/obsolete/fantasy identifier