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Holyrine B

PropertiesImage
MNX_IDMNXM11827 Image of MNXM11827
referencechebi:200600
formulaC26H24N4O4
global charge0
mol weight456.502
InChIKeyLPTYIIOZCJOTKS-FNMALOSOSA-N
InChIInChI=1S/C26H24N4O4/c1-26(33)24(31)15(27)10-18(34-26)30-17-9-5-3-7-13(17)20-21-14(11-28-25(21)32)19-12-6-2-4-8-16(12)29-22(19)23(20)30/h2-9,15,18,24,29,31,33H,10-11,27H2,1H3,(H,28,32)/t15-,18-,24-,26?/m1/s1
SMILESCC1(O)O[C@@H](N2C3=C(C=CC=C3)C3=C2C2=C(C4=C(C=CC=C4)N2)C2=C3C(=O)NC2)C[C@@H](N)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C26H24N4O4/c1-26(33)24(31)15(27)10-18(34-26)30-17-9-5-3-7-13(17)20-21-14(11-28-25(21)32)19-12-6-2-4-8-16(12)29-22(19)23(20)30/h2-9,15,18,24,29,31,33H,10-11,27H2,1H3,(H,28,32)/t15-,18-,24-,26?/m1/s1 Image of MNXM11827
SMILES (mnx)[CH3:1][C:26]1([OH:33])[C@H:24]([OH:31])[C@H:15]([NH2:27])[CH2:10][C@H:18]([N:30]2[C:17]3=[CH:9][CH:5]=[CH:3][CH:7]=[C:13]3[C:20]3=[C:21]4[C:14](=[C:19]5[C:12]6=[CH:6][CH:2]=[CH:4][CH:8]=[C:16]6[NH:29][C:22]5=[C:23]32)[CH2:11][N:28]=[C:25]4[OH:32])[O:34]1
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

CHEBI:200600
chebi:200600
LPTYIIOZCJOTKS-FNMALOSOSA-N 		Holyrine B
3-[(2R,4R,5R)-4-amino-5,6-dihydroxy-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

metacyc.compound:CPD-11910
metacycM:CPD-11910
seed.compound:cpd23139
seedM:cpd23139
LPTYIIOZCJOTKS-FNMALOSOSA-O 		holyrine B

seedM:M_cpd23139 		secondary/obsolete/fantasy identifier