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12-hydroxydihydrochelirubine

Properties

Image

Occurences in reactions

MNX_ID

MNXM2312

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₁H₁₇NO₆

charge

mass

379.368

reference

chebi:15716

InChIKey

LEHAJESKGINQOW-UHFFFAOYSA-N

InChI

InChI=1S/C21H17NO6/c1-22-7-13-19(17(24-2)6-18-21(13)28-9-27-18)12-3-14(23)10-4-15-16(26-8-25-15)5-11(10)20(12)22/h3-6,23H,7-9H2,1-2H3

SMILES

[CH3:1][N:22]1[CH2:7][c:13]2[c:19]([c:17]([O:24][CH3:2])[cH:6][c:18]3[c:21]2[O:28][CH2:9][O:27]3)-[c:12]2[cH:3][c:14]([OH:23])[c:10]3[cH:4][c:15]4[c:16]([cH:5][c:11]3[c:20]21)[O:26][CH2:8][O:25]4

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15716 chebi:15716	12-hydroxydihydrochelirubine 12-Hydroxychelirubine 12-Hydroxydihydrochelirubine 5-methoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-7-ol
seed.compound:cpd03088 seedM:cpd03088	12-Hydroxychelirubine 12-Hydroxydihydrochelirubine 12-hydroxydihydrochelirubine
kegg.compound:C05193 keggC:C05193	12-Hydroxydihydrochelirubine 12-Hydroxychelirubine
metacyc.compound:12-HYDROXYDIHYDROCHELIRUBINE metacycM:12-HYDROXYDIHYDROCHELIRUBINE	12-hydroxydihydrochelirubine
chebi:11317 chebi:19139 chebi:741 keggC:M_C05193 seedM:M_cpd03088	secondary/obsolete/fantasy identifier